CID 111773

Quaternium-70

Structural Information

Molecular Formula
C39H79N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C39H78N2O3/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2/h5-37H2,1-4H3/p+1
InChIKey
CARJGAHURMGKDU-UHFFFAOYSA-O
Compound name
dimethyl-[3-(octadecanoylamino)propyl]-(2-oxo-2-tetradecoxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2195
Patents

623.6091 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.61638 276.0
[M+Na]+ 646.59832 277.6
[M+NH4]+ 641.64292 245.6
[M+K]+ 662.57226 243.9
[M-H]- 622.60182 230.3
[M+Na-2H]- 644.58377 261.9
[M]+ 623.60855 274.4
[M]- 623.60965 274.4
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.