CID 2094800

4-cyano-n-(2-methylphenyl)benzamide

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H12N2O/c1-11-4-2-3-5-14(11)17-15(18)13-8-6-12(10-16)7-9-13/h2-9H,1H3,(H,17,18)
InChIKey
OAUQYEIHNYICBR-UHFFFAOYSA-N
Compound name
4-cyano-N-(2-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 159.4
[M+Na]+ 259.084178 169.0
[M-H]- 235.087684 164.9
[M+NH4]+ 254.128783 174.8
[M+K]+ 275.058118 163.4
[M+H-H2O]+ 219.092220 145.5
[M+HCOO]- 281.093161 179.9
[M+CH3COO]- 295.108811 205.6
[M+Na-2H]- 257.069626 163.5
[M]+ 236.09441142 153.6
[M]- 236.09550858 153.6
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

No patent data available for this compound.