CID 6858196

Oleoyl-n-me-cephalin

Structural Information

Molecular Formula
C21H44NO4P
SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)OCCNC
InChI
InChI=1S/C21H44NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22-2/h10-11,22H,3-9,12-21H2,1-2H3,(H,23,24)/b11-10-
InChIKey
AKYXHVVGMUYTQZ-KHPPLWFESA-N
Compound name
2-(methylamino)ethyl [(Z)-octadec-9-enyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.30078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.30806 212.3
[M+Na]+ 428.29000 218.4
[M-H]- 404.29350 202.5
[M+NH4]+ 423.33460 210.3
[M+K]+ 444.26394 208.2
[M+H-H2O]+ 388.29804 202.3
[M+HCOO]- 450.29898 226.3
[M+CH3COO]- 464.31463 227.5
[M+Na-2H]- 426.27545 208.8
[M]+ 405.30023 208.9
[M]- 405.30133 208.9
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.