PubChemLite - 1-(2-methoxy-tetracosanyl)-sn-glycero-3-phosphoserine (C31H64NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H64NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(38-2)26-39-24-28(33)25-40-42(36,37)41-27-30(32)31(34)35/h28-30,33H,3-27,32H2,1-2H3,(H,34,35)(H,36,37)/t28-,29?,30+/m1/s1

InChIKey

KPHVBANFYWEWRP-MILORHPOSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxytetracosoxy)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]+	626.43918	252.1
[M+Na]+	648.42112	253.0
[M-H]-	624.42462	245.7
[M+NH4]+	643.46572	253.6
[M+K]+	664.39506	252.5
[M+H-H2O]+	608.42916	241.1
[M+HCOO]-	670.43010	247.8
[M+CH3COO]-	684.44575	264.0
[M+Na-2H]-	646.40657	232.2
[M]+	625.43135	246.6
[M]-	625.43245	246.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

626.43918

252.1

[M+Na]+

648.42112

253.0

[M-H]-

624.42462

245.7

[M+NH4]+

643.46572

253.6

[M+K]+

664.39506

252.5

[M+H-H2O]+

608.42916

241.1

[M+HCOO]-

670.43010

247.8

[M+CH3COO]-

684.44575

264.0

[M+Na-2H]-

646.40657

232.2

[M]+

625.43135

246.6

[M]-

625.43245

246.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe