CID 112958

62796-24-1

Structural Information

Molecular Formula
C16H19N2O2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C16H18N2O2/c1-18(2,3)12-7-6-8-13(11-12)20-16(19)14-9-4-5-10-15(14)17/h4-11H,1-3H3,(H-,17,19)/p+1
InChIKey
YXYQRPMUXYWYAY-UHFFFAOYSA-O
Compound name
[3-(2-aminobenzoyl)oxyphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14465 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 161.8
[M+Na]+ 294.13387 168.1
[M-H]- 270.13737 169.8
[M+NH4]+ 289.17847 177.8
[M+K]+ 310.10781 160.0
[M+H-H2O]+ 254.14191 156.8
[M+HCOO]- 316.14285 185.9
[M+CH3COO]- 330.15850 198.7
[M+Na-2H]- 292.11932 169.5
[M]+ 271.14410 161.0
[M]- 271.14520 161.0
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.