PubChemLite - 162440-05-3 (C30H51NO7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/p+1/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1

InChIKey

LSOWKZULVQWMLY-APPDJCNMSA-O

Compound name

2-[[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

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]+	569.34761	234.4
[M+Na]+	591.32955	240.0
[M-H]-	567.33305	233.4
[M+NH4]+	586.37415	239.8
[M+K]+	607.30349	235.4
[M+H-H2O]+	551.33759	219.2
[M+HCOO]-	613.33853	248.7
[M+CH3COO]-	627.35418	243.8
[M+Na-2H]-	589.31500	219.4
[M]+	568.33978	229.7
[M]-	568.34088	229.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.34761

234.4

[M+Na]+

591.32955

240.0

[M-H]-

567.33305

233.4

[M+NH4]+

586.37415

239.8

[M+K]+

607.30349

235.4

[M+H-H2O]+

551.33759

219.2

[M+HCOO]-

613.33853

248.7

[M+CH3COO]-

627.35418

243.8

[M+Na-2H]-

589.31500

219.4

[M]+

568.33978

229.7

[M]-

568.34088

229.7

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

162440-05-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe