CID 135687072

90181-89-8

Structural Information

Molecular Formula

C₁₈H₁₃NO₅

SMILES

COC(=O)C1=C2C(=CC=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13NO5/c1-24-18(23)11-8-5-9-12-13(11)16(21)14(17(22)19-12)15(20)10-6-3-2-4-7-10/h2-9H,1H3,(H2,19,21,22)

InChIKey

ITMGAICGEHVDES-UHFFFAOYSA-N

Compound name

methyl 3-benzoyl-4-hydroxy-2-oxo-1H-quinoline-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 323.07938 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.086656	171.0
[M+Na]+	346.068598	179.5
[M-H]-	322.072104	175.3
[M+NH4]+	341.113203	183.1
[M+K]+	362.042538	175.0
[M+H-H2O]+	306.076640	162.6
[M+HCOO]-	368.077581	188.8
[M+CH3COO]-	382.093231	204.0
[M+Na-2H]-	344.054046	174.3
[M]+	323.07883142	172.3
[M]-	323.07992858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe