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

7
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 237.0
[M+Na]+ 464.39482 244.0
[M-H]- 440.39832 230.8
[M+NH4]+ 459.43942 234.7
[M+K]+ 480.36876 238.9
[M+H-H2O]+ 424.40286 228.6
[M+HCOO]- 486.40380 244.7
[M+CH3COO]- 500.41945 231.6
[M+Na-2H]- 462.38027 223.0
[M]+ 441.40505 232.0
[M]- 441.40615 232.0
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.