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]+ 496.37615 228.1
[M+Na]+ 518.35809 230.7
[M-H]- 494.36159 217.5
[M+NH4]+ 513.40269 224.9
[M+K]+ 534.33203 226.7
[M+H-H2O]+ 478.36613 216.9
[M+HCOO]- 540.36707 234.5
[M+CH3COO]- 554.38272 242.2
[M+Na-2H]- 516.34354 210.3
[M]+ 495.36832 222.2
[M]- 495.36942 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