CID 459620

Schembl6300691

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO4/c1-22-11-7-8-13-12(9-11)16(19)14(17(20)21)15(18-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKey
FHQNPGWMMDDLCP-UHFFFAOYSA-N
Compound name
6-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.08447 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 165.0
[M+Na]+ 318.07369 174.2
[M-H]- 294.07719 169.4
[M+NH4]+ 313.11829 178.5
[M+K]+ 334.04763 169.0
[M+H-H2O]+ 278.08173 156.7
[M+HCOO]- 340.08267 183.7
[M+CH3COO]- 354.09832 199.1
[M+Na-2H]- 316.05914 169.8
[M]+ 295.08392 165.9
[M]- 295.08502 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.