CID 54717849

Schembl10676764

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C18H16N2O4/c1-19(11-7-9-12(21)10-8-11)17(23)15-16(22)13-5-3-4-6-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKey
JWKWHXCWAUZAOS-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 173.2
[M+Na]+ 347.100218 182.1
[M-H]- 323.103724 179.2
[M+NH4]+ 342.144823 186.2
[M+K]+ 363.074158 178.3
[M+H-H2O]+ 307.108260 164.5
[M+HCOO]- 369.109201 193.1
[M+CH3COO]- 383.124851 211.2
[M+Na-2H]- 345.085666 176.6
[M]+ 324.11045142 175.4
[M]- 324.11154858 175.4
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