CID 3043272

Scs 36

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC1=CC=C(C=C1)N(C#N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12N2O/c1-12-7-9-14(10-8-12)17(11-16)15(18)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
GZNSDDNEAFHCQV-UHFFFAOYSA-N
Compound name
N-cyano-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 159.6
[M+Na]+ 259.08418 168.4
[M-H]- 235.08768 165.9
[M+NH4]+ 254.12878 175.2
[M+K]+ 275.05812 163.8
[M+H-H2O]+ 219.09222 145.1
[M+HCOO]- 281.09316 180.4
[M+CH3COO]- 295.10881 207.6
[M+Na-2H]- 257.06963 163.5
[M]+ 236.09441 154.4
[M]- 236.09551 154.4
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.