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

literature stripe

Patent stripe

patents stripe