CID 171017

Palmitamidopropyltrimonium chloride

Structural Information

Molecular Formula
C22H47N2O
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C22H46N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(25)23-20-18-21-24(2,3)4/h5-21H2,1-4H3/p+1
InChIKey
OJEDLJOFFJSLLI-UHFFFAOYSA-O
Compound name
3-(hexadecanoylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1562
Patents

355.36884 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.37612 198.8
[M+Na]+ 378.35806 198.7
[M-H]- 354.36156 198.0
[M+NH4]+ 373.40266 226.5
[M+K]+ 394.33200 190.2
[M+H-H2O]+ 338.36610 193.9
[M+HCOO]- 400.36704 241.3
[M+CH3COO]- 414.38269 222.5
[M+Na-2H]- 376.34351 200.4
[M]+ 355.36829 204.2
[M]- 355.36939 204.2
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