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

6
Patents

467.3376 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.34488 221.0
[M+Na]+ 490.32682 223.9
[M-H]- 466.33032 211.1
[M+NH4]+ 485.37142 217.8
[M+K]+ 506.30076 219.0
[M+H-H2O]+ 450.33486 210.0
[M+HCOO]- 512.33580 228.2
[M+CH3COO]- 526.35145 236.4
[M+Na-2H]- 488.31227 204.1
[M]+ 467.33705 215.1
[M]- 467.33815 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