CID 54678957

128629-27-6

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]+ 329.068736 171.5
[M+Na]+ 351.050678 181.0
[M-H]- 327.054184 175.7
[M+NH4]+ 346.095283 184.5
[M+K]+ 367.024618 173.6
[M+H-H2O]+ 311.058720 164.1
[M+HCOO]- 373.059661 186.8
[M+CH3COO]- 387.075311 182.1
[M+Na-2H]- 349.036126 176.5
[M]+ 328.06091142 172.8
[M]- 328.06200858 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.