CID 24039329

Refchem:1062082

Structural Information

Molecular Formula
C26H51NO7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-
InChIKey
LSUXCWJOIAWGOU-UTJQPWESSA-O
Compound name
2-[hydroxy-[3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

520.34033 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.347606 228.8
[M+Na]+ 543.329548 232.7
[M-H]- 519.333054 226.0
[M+NH4]+ 538.374153 232.9
[M+K]+ 559.303488 228.3
[M+H-H2O]+ 503.337590 213.8
[M+HCOO]- 565.338531 241.3
[M+CH3COO]- 579.354181 238.7
[M+Na-2H]- 541.314996 213.5
[M]+ 520.33978142 224.9
[M]- 520.34087858 224.9
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

No patent data available for this compound.