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

15
Patents

226.04121 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.048486 144.8
[M+Na]+ 249.030428 153.1
[M-H]- 225.033934 146.1
[M+NH4]+ 244.075033 161.9
[M+K]+ 265.004368 148.7
[M+H-H2O]+ 209.038470 139.1
[M+HCOO]- 271.039411 158.3
[M+CH3COO]- 285.055061 184.2
[M+Na-2H]- 247.015876 150.1
[M]+ 226.04066142 142.4
[M]- 226.04175858 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