CID 54678957

Brn 4328516

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O)Cl
InChI
InChI=1S/C17H13ClN2O3/c18-12-7-3-1-5-10(12)9-19-16(22)14-15(21)11-6-2-4-8-13(11)20-17(14)23/h1-8H,9H2,(H,19,22)(H2,20,21,23)
InChIKey
DUTARUSOSJPZRN-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

328.06146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 171.5
[M+Na]+ 351.05068 181.0
[M-H]- 327.05418 175.7
[M+NH4]+ 346.09528 184.5
[M+K]+ 367.02462 173.6
[M+H-H2O]+ 311.05872 164.1
[M+HCOO]- 373.05966 186.8
[M+CH3COO]- 387.07531 182.1
[M+Na-2H]- 349.03613 176.5
[M]+ 328.06091 172.8
[M]- 328.06201 172.8
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.