CID 46800

3-(p-aminobenzoyloxy)phenyltrimethylammonium bromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14465 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.15193 161.2
[M+Na]+ 294.13387 175.9
[M+NH4]+ 289.17847 170.4
[M+K]+ 310.10781 170.1
[M-H]- 270.13737 168.1
[M+Na-2H]- 292.11932 171.3
[M]+ 271.14410 165.7
[M]- 271.14520 165.7
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.