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]+ 482.32411 224.1
[M+Na]+ 504.30605 226.7
[M-H]- 480.30955 217.2
[M+NH4]+ 499.35065 222.3
[M+K]+ 520.27999 222.2
[M+H-H2O]+ 464.31409 213.1
[M+HCOO]- 526.31503 228.7
[M+CH3COO]- 540.33068 236.0
[M+Na-2H]- 502.29150 207.2
[M]+ 481.31628 218.1
[M]- 481.31738 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.