CID 3043272

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

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=C(C=C1)N(C#N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12N2O/c1-12-7-9-14(10-8-12)17(11-16)15(18)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
GZNSDDNEAFHCQV-UHFFFAOYSA-N
Compound name
N-cyano-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 159.6
[M+Na]+ 259.084178 168.4
[M-H]- 235.087684 165.9
[M+NH4]+ 254.128783 175.2
[M+K]+ 275.058118 163.8
[M+H-H2O]+ 219.092220 145.1
[M+HCOO]- 281.093161 180.4
[M+CH3COO]- 295.108811 207.6
[M+Na-2H]- 257.069626 163.5
[M]+ 236.09441142 154.4
[M]- 236.09550858 154.4
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

No patent data available for this compound.