CID 466925

1-isonicotinoyl-1,2-dihydroquinoline-2-carbonitrile

Structural Information

Molecular Formula
C16H11N3O
SMILES
C1=CC=C2C(=C1)C=CC(N2C(=O)C3=CC=NC=C3)C#N
InChI
InChI=1S/C16H11N3O/c17-11-14-6-5-12-3-1-2-4-15(12)19(14)16(20)13-7-9-18-10-8-13/h1-10,14H
InChIKey
VCVYNNDEXAJIRQ-UHFFFAOYSA-N
Compound name
1-(pyridine-4-carbonyl)-2H-quinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.0902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09748 162.2
[M+Na]+ 284.07942 172.3
[M-H]- 260.08292 164.8
[M+NH4]+ 279.12402 174.7
[M+K]+ 300.05336 164.6
[M+H-H2O]+ 244.08746 146.1
[M+HCOO]- 306.08840 177.2
[M+CH3COO]- 320.10405 171.5
[M+Na-2H]- 282.06487 167.6
[M]+ 261.08965 155.4
[M]- 261.09075 155.4
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.