CID 466926

1-(2-chloropyridine-3-carbonyl)-2h-quinoline-2-carbonitrile

Structural Information

Molecular Formula
C16H10ClN3O
SMILES
C1=CC=C2C(=C1)C=CC(N2C(=O)C3=C(N=CC=C3)Cl)C#N
InChI
InChI=1S/C16H10ClN3O/c17-15-13(5-3-9-19-15)16(21)20-12(10-18)8-7-11-4-1-2-6-14(11)20/h1-9,12H
InChIKey
MKVWZMYDARPZDH-UHFFFAOYSA-N
Compound name
1-(2-chloropyridine-3-carbonyl)-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.05124 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05852 167.9
[M+Na]+ 318.04046 179.6
[M-H]- 294.04396 170.6
[M+NH4]+ 313.08506 180.3
[M+K]+ 334.01440 170.6
[M+H-H2O]+ 278.04850 152.5
[M+HCOO]- 340.04944 178.8
[M+CH3COO]- 354.06509 177.2
[M+Na-2H]- 316.02591 172.2
[M]+ 295.05069 163.5
[M]- 295.05179 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.