CID 71587309

Colalipid safl

Structural Information

Molecular Formula
C78H150N6O10P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC[N+](CC(O)COP(=O)(OCC(O)C[N+](CCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C)OCC(O)C[N+](CCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C)(C)C
InChI
InChI=1S/C78H147N6O10P/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3/p+3/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-
InChIKey
INBXAYLRVHRCBA-UKPROCMTSA-Q
Compound name
[3-bis[3-[dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propyl]azaniumyl]-2-hydroxypropoxy]phosphoryloxy-2-hydroxypropyl]-dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1735
Patents

1362.1151 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1363.1224 383.6
[M+Na]+ 1385.1043 379.8
[M+NH4]+ 1380.1489 385.2
[M+K]+ 1401.0783 382.9
[M-H]- 1361.1078 377.6
[M+Na-2H]- 1383.0898 360.9
[M]+ 1362.1146 381.5
[M]- 1362.1156 381.5
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.