CID 8778227

2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)(H2,10,13,14)
InChIKey
KKWOKIJYLMPNMW-UHFFFAOYSA-N
Compound name
2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.04121 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 144.8
[M+Na]+ 249.03043 153.1
[M-H]- 225.03393 146.1
[M+NH4]+ 244.07503 161.9
[M+K]+ 265.00437 148.7
[M+H-H2O]+ 209.03847 139.1
[M+HCOO]- 271.03941 158.3
[M+CH3COO]- 285.05506 184.2
[M+Na-2H]- 247.01588 150.1
[M]+ 226.04066 142.4
[M]- 226.04176 142.4
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