CID 135457822

6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one

Structural Information

Molecular Formula
C19H13ClN2O2
SMILES
CC1=NOC(=C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)
InChIKey
QINNOQKHPLWGBK-UHFFFAOYSA-N
Compound name
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

336.06656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07384 177.5
[M+Na]+ 359.05578 190.7
[M-H]- 335.05928 186.2
[M+NH4]+ 354.10038 190.4
[M+K]+ 375.02972 183.3
[M+H-H2O]+ 319.06382 168.4
[M+HCOO]- 381.06476 193.9
[M+CH3COO]- 395.08041 189.6
[M+Na-2H]- 357.04123 181.8
[M]+ 336.06601 182.7
[M]- 336.06711 182.7
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

patents stripe