CID 11529455

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C15H13F3N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C15H13F3N2O/c1-9-5-6-12(8-13(9)19)20-14(21)10-3-2-4-11(7-10)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
UFOJNUSJWKEEEQ-UHFFFAOYSA-N
Compound name
N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

294.098 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10528 164.4
[M+Na]+ 317.08722 172.4
[M-H]- 293.09072 167.2
[M+NH4]+ 312.13182 179.1
[M+K]+ 333.06116 167.5
[M+H-H2O]+ 277.09526 154.4
[M+HCOO]- 339.09620 184.4
[M+CH3COO]- 353.11185 207.1
[M+Na-2H]- 315.07267 167.1
[M]+ 294.09745 158.6
[M]- 294.09855 158.6
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

patents stripe