CID 14420883

Oleamidopropyl pg-dimonium chloride

Structural Information

Molecular Formula
C26H53N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(CO)O
InChI
InChI=1S/C26H52N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(31)27-21-19-22-28(2,3)23-25(30)24-29/h11-12,25,29-30H,4-10,13-24H2,1-3H3/p+1/b12-11-
InChIKey
AYPUGXOMHLJKMM-QXMHVHEDSA-O
Compound name
2,3-dihydroxypropyl-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

441.4056 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.41288 227.1
[M+Na]+ 464.39482 205.4
[M+NH4]+ 459.43942 199.3
[M+K]+ 480.36876 197.3
[M-H]- 440.39832 189.8
[M+Na-2H]- 462.38027 215.9
[M]+ 441.40505 226.5
[M]- 441.40615 226.5
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.