CID 54676677

N-[2-(aminosulfonyl)phenyl]-1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C20H21N3O5S
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O
InChI
InChI=1S/C20H21N3O5S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)26)19(25)22-14-9-5-7-11-16(14)29(21,27)28/h4-11,24H,2-3,12H2,1H3,(H,22,25)(H2,21,27,28)
InChIKey
UBZNZRWGZLEXFV-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

415.12018 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12746 195.5
[M+Na]+ 438.10940 202.9
[M-H]- 414.11290 200.1
[M+NH4]+ 433.15400 204.3
[M+K]+ 454.08334 197.2
[M+H-H2O]+ 398.11744 186.8
[M+HCOO]- 460.11838 209.8
[M+CH3COO]- 474.13403 226.2
[M+Na-2H]- 436.09485 198.4
[M]+ 415.11963 198.9
[M]- 415.12073 198.9
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.