CID 59105244

Isoquinoline-7-sulfonamide

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1=CC(=CC2=C1C=CN=C2)S(=O)(=O)N
InChI
InChI=1S/C9H8N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6H,(H2,10,12,13)
InChIKey
STXWXSSOTQZWRS-UHFFFAOYSA-N
Compound name
isoquinoline-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

208.03065 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 140.1
[M+Na]+ 231.019868 150.1
[M-H]- 207.023374 143.5
[M+NH4]+ 226.064473 158.8
[M+K]+ 246.993808 146.1
[M+H-H2O]+ 191.027910 134.0
[M+HCOO]- 253.028851 157.8
[M+CH3COO]- 267.044501 183.4
[M+Na-2H]- 229.005316 148.1
[M]+ 208.03010142 141.3
[M]- 208.03119858 141.3
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