CID 42607469

1-(1z-hexadecenyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H44NO6P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1
InChIKey
QYTPGOPLNFESQC-NUTQULCTSA-N
Compound name
2-aminoethyl [(2R)-3-[(Z)-hexadec-1-enoxy]-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

47
Patents

437.29062 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.29790 211.8
[M+Na]+ 460.27984 216.7
[M+NH4]+ 455.32444 214.0
[M+K]+ 476.25378 212.7
[M-H]- 436.28334 203.7
[M+Na-2H]- 458.26529 216.0
[M]+ 437.29007 210.0
[M]- 437.29117 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe