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 163.4
[M+Na]+ 273.09983 172.6
[M-H]- 249.10333 168.7
[M+NH4]+ 268.14443 178.3
[M+K]+ 289.07377 166.8
[M+H-H2O]+ 233.10787 149.3
[M+HCOO]- 295.10881 183.5
[M+CH3COO]- 309.12446 208.3
[M+Na-2H]- 271.08528 167.0
[M]+ 250.11006 157.8
[M]- 250.11116 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.