CID 91666407

N-oleoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C23H46NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O
InChI
InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-18-19-30-32(28,29)31-21-22(26)20-25/h9-10,22,25-26H,2-8,11-21H2,1H3,(H,24,27)(H,28,29)/b10-9-/t22-/m1/s1
InChIKey
VBNXVCGZJCGEKO-MZMPXXGTSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-[[(Z)-octadec-9-enoyl]amino]ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.30118 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.30846 221.7
[M+Na]+ 502.29040 224.9
[M-H]- 478.29390 215.6
[M+NH4]+ 497.33500 220.2
[M+K]+ 518.26434 219.9
[M+H-H2O]+ 462.29844 210.8
[M+HCOO]- 524.29938 227.2
[M+CH3COO]- 538.31503 234.6
[M+Na-2H]- 500.27585 205.3
[M]+ 479.30063 215.5
[M]- 479.30173 215.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.