CID 46127

Tl-1324

Structural Information

Molecular Formula
C17H29N2O2
SMILES
CCCC[N+](C)(CCCC)C1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C17H28N2O2/c1-5-7-12-19(4,13-8-6-2)15-10-9-11-16(14-15)21-17(20)18-3/h9-11,14H,5-8,12-13H2,1-4H3/p+1
InChIKey
YBWIYBRJGKDNIQ-UHFFFAOYSA-O
Compound name
dibutyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2229 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.230176 172.4
[M+Na]+ 316.212118 176.3
[M-H]- 292.215624 176.7
[M+NH4]+ 311.256723 188.1
[M+K]+ 332.186058 168.9
[M+H-H2O]+ 276.220160 167.7
[M+HCOO]- 338.221101 195.4
[M+CH3COO]- 352.236751 205.0
[M+Na-2H]- 314.197566 178.7
[M]+ 293.22235142 175.0
[M]- 293.22344858 175.0
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.