CID 42607467

1-octadecyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C23H50NO6P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C23H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h23,25H,2-22,24H2,1H3,(H,26,27)/t23-/m1/s1
InChIKey
JIJGULMDDZORPH-HSZRJFAPSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-octadecoxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

467.3376 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.344876 221.0
[M+Na]+ 490.326818 223.9
[M-H]- 466.330324 211.1
[M+NH4]+ 485.371423 217.8
[M+K]+ 506.300758 219.0
[M+H-H2O]+ 450.334860 210.0
[M+HCOO]- 512.335801 228.2
[M+CH3COO]- 526.351451 236.4
[M+Na-2H]- 488.312266 204.1
[M]+ 467.33705142 215.1
[M]- 467.33814858 215.1
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

patents stripe