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]+ 294.23018 172.4
[M+Na]+ 316.21212 176.3
[M-H]- 292.21562 176.7
[M+NH4]+ 311.25672 188.1
[M+K]+ 332.18606 168.9
[M+H-H2O]+ 276.22016 167.7
[M+HCOO]- 338.22110 195.4
[M+CH3COO]- 352.23675 205.0
[M+Na-2H]- 314.19757 178.7
[M]+ 293.22235 175.0
[M]- 293.22345 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.