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]+ 317.09545 169.5
[M+Na]+ 339.07739 176.6
[M-H]- 315.08089 176.7
[M+NH4]+ 334.12199 184.0
[M+K]+ 355.05133 172.8
[M+H-H2O]+ 299.08543 161.1
[M+HCOO]- 361.08637 184.8
[M+CH3COO]- 375.10202 207.6
[M+Na-2H]- 337.06284 174.8
[M]+ 316.08762 171.0
[M]- 316.08872 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.