CID 5020140

6-(4-chlorophenyl)-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Cl)C#N
InChI
InChI=1S/C13H9ClN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKey
QLPLXCVOLQXNHH-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 154.4
[M+Na]+ 267.02956 167.6
[M-H]- 243.03306 158.0
[M+NH4]+ 262.07416 169.4
[M+K]+ 283.00350 159.8
[M+H-H2O]+ 227.03760 141.4
[M+HCOO]- 289.03854 168.8
[M+CH3COO]- 303.05419 165.6
[M+Na-2H]- 265.01501 158.3
[M]+ 244.03979 150.6
[M]- 244.04089 150.6
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