CID 752416

1-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)pyridinium

Structural Information

Molecular Formula
C20H14ClN2O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=CC=C4
InChI
InChI=1S/C20H13ClN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1-13H/p+1
InChIKey
FYQYEFNBKVNDON-UHFFFAOYSA-O
Compound name
6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

333.07947 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08675 180.8
[M+Na]+ 356.06869 190.9
[M-H]- 332.07219 187.6
[M+NH4]+ 351.11329 192.1
[M+K]+ 372.04263 176.3
[M+H-H2O]+ 316.07673 172.9
[M+HCOO]- 378.07767 194.8
[M+CH3COO]- 392.09332 190.7
[M+Na-2H]- 354.05414 189.0
[M]+ 333.07892 180.3
[M]- 333.08002 180.3
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.