CID 54680232

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

Structural Information

Molecular Formula
C18H17N3O5S
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O
InChI
InChI=1S/C18H17N3O5S/c1-2-21-13-9-5-3-7-11(13)16(22)15(18(21)24)17(23)20-12-8-4-6-10-14(12)27(19,25)26/h3-10,22H,2H2,1H3,(H,20,23)(H2,19,25,26)
InChIKey
MIIOQDQNJMRYQB-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5
Patents

387.0889 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09618 187.1
[M+Na]+ 410.07812 195.4
[M-H]- 386.08162 192.1
[M+NH4]+ 405.12272 197.1
[M+K]+ 426.05206 190.0
[M+H-H2O]+ 370.08616 178.7
[M+HCOO]- 432.08710 202.0
[M+CH3COO]- 446.10275 220.3
[M+Na-2H]- 408.06357 190.8
[M]+ 387.08835 189.8
[M]- 387.08945 189.8
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

No patent data available for this compound.