PubChemLite - 1-(2-methoxy-tricosanyl)-sn-glycero-3-phosphoserine (C30H62NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C30H62NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(37-2)25-38-23-27(32)24-39-41(35,36)40-26-29(31)30(33)34/h27-29,32H,3-26,31H2,1-2H3,(H,33,34)(H,35,36)/t27-,28?,29+/m1/s1

InChIKey

IWVKOBKYUWXOOG-IZONQVJESA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxytricosoxy)propoxy]phosphoryl]oxypropanoic acid

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]+	612.42348	248.7
[M+Na]+	634.40542	249.8
[M-H]-	610.40892	242.7
[M+NH4]+	629.45002	250.2
[M+K]+	650.37936	248.9
[M+H-H2O]+	594.41346	237.8
[M+HCOO]-	656.41440	244.8
[M+CH3COO]-	670.43005	261.3
[M+Na-2H]-	632.39087	229.2
[M]+	611.41565	243.2
[M]-	611.41675	243.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

612.42348

248.7

[M+Na]+

634.40542

249.8

[M-H]-

610.40892

242.7

[M+NH4]+

629.45002

250.2

[M+K]+

650.37936

248.9

[M+H-H2O]+

594.41346

237.8

[M+HCOO]-

656.41440

244.8

[M+CH3COO]-

670.43005

261.3

[M+Na-2H]-

632.39087

229.2

[M]+

611.41565

243.2

[M]-

611.41675

243.2

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

1-(2-methoxy-tricosanyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe