CID 52925152

1-eicosyl-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C25H54NO6P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C25H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25(27)24-32-33(28,29)31-22-20-26/h25,27H,2-24,26H2,1H3,(H,28,29)/t25-/m1/s1
InChIKey
PKPGKYPSMJMPGS-RUZDIDTESA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-icosoxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

495.36887 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.376146 228.1
[M+Na]+ 518.358088 230.7
[M-H]- 494.361594 217.5
[M+NH4]+ 513.402693 224.9
[M+K]+ 534.332028 226.7
[M+H-H2O]+ 478.366130 216.9
[M+HCOO]- 540.367071 234.5
[M+CH3COO]- 554.382721 242.2
[M+Na-2H]- 516.343536 210.3
[M]+ 495.36832142 222.2
[M]- 495.36941858 222.2
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