CID 217644

39113-20-7

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
C1C2=CC=CC=C2CN(C1=O)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O3S/c18-15-10-12-6-4-5-7-13(12)11-17(15)16-21(19,20)14-8-2-1-3-9-14/h1-9,16H,10-11H2
InChIKey
MGTIXBQHJANZSC-UHFFFAOYSA-N
Compound name
N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07978 165.2
[M+Na]+ 325.06172 172.8
[M-H]- 301.06522 171.1
[M+NH4]+ 320.10632 179.7
[M+K]+ 341.03566 167.7
[M+H-H2O]+ 285.06976 157.2
[M+HCOO]- 347.07070 180.4
[M+CH3COO]- 361.08635 201.4
[M+Na-2H]- 323.04717 171.7
[M]+ 302.07195 165.1
[M]- 302.07305 165.1
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.