CID 91666403

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

Structural Information

Molecular Formula
C23H48NO7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O
InChI
InChI=1S/C23H48NO7P/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/h22,25-26H,2-21H2,1H3,(H,24,27)(H,28,29)/t22-/m1/s1
InChIKey
GWPSWVKRTQYSAW-JOCHJYFZSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-(octadecanoylamino)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.31683 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.324106 224.1
[M+Na]+ 504.306048 226.7
[M-H]- 480.309554 217.2
[M+NH4]+ 499.350653 222.3
[M+K]+ 520.279988 222.2
[M+H-H2O]+ 464.314090 213.1
[M+HCOO]- 526.315031 228.7
[M+CH3COO]- 540.330681 236.0
[M+Na-2H]- 502.291496 207.2
[M]+ 481.31628142 218.1
[M]- 481.31737858 218.1
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.