CID 13135510

N-methylisoquinoline-5-sulfonamide

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2
InChI
InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
InChIKey
NZGWDNMCXFHPJD-UHFFFAOYSA-N
Compound name
N-methylisoquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

222.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 144.1
[M+Na]+ 245.035518 153.7
[M-H]- 221.039024 147.8
[M+NH4]+ 240.080123 162.5
[M+K]+ 261.009458 149.8
[M+H-H2O]+ 205.043560 137.7
[M+HCOO]- 267.044501 162.0
[M+CH3COO]- 281.060151 187.0
[M+Na-2H]- 243.020966 152.7
[M]+ 222.04575142 146.6
[M]- 222.04684858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe