CID 10331668

N-(cyanophenylmethyl)benzamide

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C(C=C1)C(C#N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12N2O/c16-11-14(12-7-3-1-4-8-12)17-15(18)13-9-5-2-6-10-13/h1-10,14H,(H,17,18)
InChIKey
NBZAGKIQCHKEBJ-UHFFFAOYSA-N
Compound name
N-[cyano(phenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.09496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 161.0
[M+Na]+ 259.08418 168.6
[M-H]- 235.08768 165.7
[M+NH4]+ 254.12878 175.6
[M+K]+ 275.05812 163.1
[M+H-H2O]+ 219.09222 146.6
[M+HCOO]- 281.09316 180.4
[M+CH3COO]- 295.10881 204.3
[M+Na-2H]- 257.06963 165.1
[M]+ 236.09441 153.7
[M]- 236.09551 153.7
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