CID 154699823

Ns00117553

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CN1C2=C(C=CC(=C2)O)C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
InChI
InChI=1S/C18H16N2O4/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-9-8-12(21)10-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKey
NPWHYPYXYXHWLK-UHFFFAOYSA-N
Compound name
4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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

No patent data available for this compound.