CID 154699478

Ns00117243

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CN1C2=C(C=CC=C2O)C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
InChI
InChI=1S/C18H16N2O4/c1-19(11-7-4-3-5-8-11)17(23)14-16(22)12-9-6-10-13(21)15(12)20(2)18(14)24/h3-10,21-22H,1-2H3
InChIKey
AHXNUHLQDWODQB-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
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]+ 325.11828 173.2
[M+Na]+ 347.10022 182.1
[M-H]- 323.10372 179.2
[M+NH4]+ 342.14482 186.2
[M+K]+ 363.07416 178.3
[M+H-H2O]+ 307.10826 164.5
[M+HCOO]- 369.10920 193.1
[M+CH3COO]- 383.12485 211.2
[M+Na-2H]- 345.08567 176.6
[M]+ 324.11045 175.4
[M]- 324.11155 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.