CID 287593

66820-85-7

Structural Information

Molecular Formula
C16H14ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C3=C2C=C(C=C3)Cl
InChI
InChI=1S/C16H14ClNO3S/c1-11-2-5-13(6-3-11)22(20,21)18-9-8-16(19)14-7-4-12(17)10-15(14)18/h2-7,10H,8-9H2,1H3
InChIKey
ARVPKFVFFOOGKT-UHFFFAOYSA-N
Compound name
7-chloro-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

335.0383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04558 173.0
[M+Na]+ 358.02752 188.5
[M+NH4]+ 353.07212 181.5
[M+K]+ 374.00146 178.7
[M-H]- 334.03102 176.6
[M+Na-2H]- 356.01297 180.3
[M]+ 335.03775 177.2
[M]- 335.03885 177.2
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