CID 20119694

3-amino-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C15H13F3N2O
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C15H13F3N2O/c1-9-5-6-10(7-13(9)19)14(21)20-12-4-2-3-11(8-12)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKey
GRJIABFMPQBAKK-UHFFFAOYSA-N
Compound name
3-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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 166.5
[M+Na]+ 317.08722 175.6
[M+NH4]+ 312.13182 171.6
[M+K]+ 333.06116 170.2
[M-H]- 293.09072 166.3
[M+Na-2H]- 315.07267 172.0
[M]+ 294.09745 167.4
[M]- 294.09855 167.4
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