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]+ 251.11789 162.0
[M+Na]+ 273.09983 175.1
[M+NH4]+ 268.14443 166.8
[M+K]+ 289.07377 164.1
[M-H]- 249.10333 159.3
[M+Na-2H]- 271.08528 167.9
[M]+ 250.11006 162.3
[M]- 250.11116 162.3
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.