CID 54676542

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

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H12N2O4/c19-10-7-5-9(6-8-10)17-15(21)13-14(20)11-3-1-2-4-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22)
InChIKey
UZAVFKGSGHAJEC-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(4-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

296.0797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 164.3
[M+Na]+ 319.06892 172.7
[M-H]- 295.07242 167.5
[M+NH4]+ 314.11352 176.8
[M+K]+ 335.04286 167.0
[M+H-H2O]+ 279.07696 156.3
[M+HCOO]- 341.07790 183.0
[M+CH3COO]- 355.09355 198.7
[M+Na-2H]- 317.05437 169.8
[M]+ 296.07915 162.4
[M]- 296.08025 162.4
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