CID 54676685

4-hydroxy-1-methyl-2-oxo-n-(2-sulfamoylphenyl)-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C17H15N3O5S
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O
InChI
InChI=1S/C17H15N3O5S/c1-20-12-8-4-2-6-10(12)15(21)14(17(20)23)16(22)19-11-7-3-5-9-13(11)26(18,24)25/h2-9,21H,1H3,(H,19,22)(H2,18,24,25)
InChIKey
LJTIFLVJMOSVDO-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

373.07324 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08052 182.8
[M+Na]+ 396.06246 191.7
[M-H]- 372.06596 188.1
[M+NH4]+ 391.10706 193.4
[M+K]+ 412.03640 186.4
[M+H-H2O]+ 356.07050 174.7
[M+HCOO]- 418.07144 198.1
[M+CH3COO]- 432.08709 217.4
[M+Na-2H]- 394.04791 187.0
[M]+ 373.07269 185.3
[M]- 373.07379 185.3
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