CID 10104496

Isoquinolinesulfonamide

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

C1=CC=C2C(=C1)C=CN=C2S(=O)(=O)N

InChI

InChI=1S/C9H8N2O2S/c10-14(12,13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,12,13)

InChIKey

GZZCYMXZJQCAJU-UHFFFAOYSA-N

Compound name

isoquinoline-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 777
Patents: 208.03065 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.03793	140.5
[M+Na]+	231.01987	153.2
[M+NH4]+	226.06447	148.9
[M+K]+	246.99381	145.7
[M-H]-	207.02337	142.4
[M+Na-2H]-	229.00532	147.4
[M]+	208.03010	143.3
[M]-	208.03120	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe