CID 217672

39191-70-3

Structural Information

Molecular Formula
C16H16N2O3S
SMILES
CN(N1CC2=CC=CC=C2CC1=O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O3S/c1-17(22(20,21)15-9-3-2-4-10-15)18-12-14-8-6-5-7-13(14)11-16(18)19/h2-10H,11-12H2,1H3
InChIKey
WCCDYGDLNHGPLT-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.095446 169.5
[M+Na]+ 339.077388 176.6
[M-H]- 315.080894 176.7
[M+NH4]+ 334.121993 184.0
[M+K]+ 355.051328 172.8
[M+H-H2O]+ 299.085430 161.1
[M+HCOO]- 361.086371 184.8
[M+CH3COO]- 375.102021 207.6
[M+Na-2H]- 337.062836 174.8
[M]+ 316.08762142 171.0
[M]- 316.08871858 171.0
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.