CID 3661509

139654-32-3

Structural Information

Molecular Formula
C27H49N2O3
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCOCCOC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C27H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-29(2,3)22-23-31-24-25-32-27(30)28-26-19-16-15-17-20-26/h15-17,19-20H,4-14,18,21-25H2,1-3H3/p+1
InChIKey
BXMZAXOXEIYMED-UHFFFAOYSA-O
Compound name
dimethyl-[2-[2-(phenylcarbamoyloxy)ethoxy]ethyl]-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.37433 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.38161 221.6
[M+Na]+ 472.36355 220.0
[M-H]- 448.36705 223.3
[M+NH4]+ 467.40815 230.4
[M+K]+ 488.33749 210.7
[M+H-H2O]+ 432.37159 214.3
[M+HCOO]- 494.37253 241.2
[M+CH3COO]- 508.38818 235.5
[M+Na-2H]- 470.34900 223.4
[M]+ 449.37378 228.7
[M]- 449.37488 228.7
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.