CID 18680384

Quinoline-3-sulfonamide

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1=CC=C2C(=C1)C=C(C=N2)S(=O)(=O)N
InChI
InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H2,10,12,13)
InChIKey
CRWDCNPQLQANDB-UHFFFAOYSA-N
Compound name
quinoline-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

208.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.1
[M+Na]+ 231.01987 150.1
[M-H]- 207.02337 143.5
[M+NH4]+ 226.06447 158.8
[M+K]+ 246.99381 146.1
[M+H-H2O]+ 191.02791 134.0
[M+HCOO]- 253.02885 157.8
[M+CH3COO]- 267.04450 183.4
[M+Na-2H]- 229.00532 148.1
[M]+ 208.03010 141.3
[M]- 208.03120 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

literature stripe

Patent stripe

patents stripe