CID 3043273

N-cyano-n-(2,3-dimethylphenyl)benzamide

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=C(C(=CC=C1)N(C#N)C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H14N2O/c1-12-7-6-10-15(13(12)2)18(11-17)16(19)14-8-4-3-5-9-14/h3-10H,1-2H3
InChIKey
ZUJUGKUJWNTMTN-UHFFFAOYSA-N
Compound name
N-cyano-N-(2,3-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.11061 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 163.2
[M+Na]+ 273.09983 172.5
[M-H]- 249.10333 169.8
[M+NH4]+ 268.14443 178.6
[M+K]+ 289.07377 167.9
[M+H-H2O]+ 233.10787 148.9
[M+HCOO]- 295.10881 183.8
[M+CH3COO]- 309.12446 211.4
[M+Na-2H]- 271.08528 166.1
[M]+ 250.11006 158.8
[M]- 250.11116 158.8
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

patents stripe