CID 54717876

Schembl10675968

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CN1C2=C(C=C(C=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)13-10-12(21)8-9-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKey
TXDLBIHXLIOKOO-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 173.7
[M+Na]+ 347.10022 188.1
[M+NH4]+ 342.14482 180.2
[M+K]+ 363.07416 182.4
[M-H]- 323.10372 177.3
[M+Na-2H]- 345.08567 180.6
[M]+ 324.11045 176.7
[M]- 324.11155 176.7
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