Cl(64:0) (C73H142O17P2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C73H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82)/t68-,69-/m1/s1

InChIKey

GRTNLBQYBYZCCM-ULKDXPJMSA-N

Compound name

[(2R)-3-[[3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1353.979476	424.0
[M+Na]+	1375.961418	415.7
[M-H]-	1351.964924	413.8
[M+NH4]+	1371.006023	440.6
[M+K]+	1391.935358	432.2
[M+H-H2O]+	1335.969460	405.2
[M+HCOO]-	1397.970401	401.5
[M+CH3COO]-	1411.986051	368.1
[M+Na-2H]-	1373.946866	386.6
[M]+	1352.97165142	445.0
[M]-	1352.97274858	445.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1353.979476

424.0

[M+Na]+

1375.961418

415.7

[M-H]-

1351.964924

413.8

[M+NH4]+

1371.006023

440.6

[M+K]+

1391.935358

432.2

[M+H-H2O]+

1335.969460

405.2

[M+HCOO]-

1397.970401

401.5

[M+CH3COO]-

1411.986051

368.1

[M+Na-2H]-

1373.946866

386.6

[M]+

1352.97165142

445.0

[M]-

1352.97274858

445.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cl(64:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe