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 221.3
[M+Na]+ 502.29040 226.1
[M+NH4]+ 497.33500 224.3
[M+K]+ 518.26434 222.6
[M-H]- 478.29390 215.1
[M+Na-2H]- 500.27585 225.4
[M]+ 479.30063 220.2
[M]- 479.30173 220.2
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.