CID 2524048

3-cyano-n-[(4-methylphenyl)methyl]benzamide

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C16H14N2O/c1-12-5-7-13(8-6-12)11-18-16(19)15-4-2-3-14(9-15)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKey
SYBORSXGOIGTII-UHFFFAOYSA-N
Compound name
3-cyano-N-[(4-methylphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 163.4
[M+Na]+ 273.099828 172.6
[M-H]- 249.103334 168.7
[M+NH4]+ 268.144433 178.3
[M+K]+ 289.073768 166.8
[M+H-H2O]+ 233.107870 149.3
[M+HCOO]- 295.108811 183.5
[M+CH3COO]- 309.124461 208.3
[M+Na-2H]- 271.085276 167.0
[M]+ 250.11006142 157.8
[M]- 250.11115858 157.8
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.