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

21
Patents

244.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.047616 154.4
[M+Na]+ 267.029558 167.6
[M-H]- 243.033064 158.0
[M+NH4]+ 262.074163 169.4
[M+K]+ 283.003498 159.8
[M+H-H2O]+ 227.037600 141.4
[M+HCOO]- 289.038541 168.8
[M+CH3COO]- 303.054191 165.6
[M+Na-2H]- 265.015006 158.3
[M]+ 244.03979142 150.6
[M]- 244.04088858 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