CID 54687473

N-phenyl-5-chloro-1,2-dihydro-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
CN1C2=C(C(=CC=C2)Cl)C(=C(C1=O)C(=O)NC3=CC=CC=C3)O
InChI
InChI=1S/C17H13ClN2O3/c1-20-12-9-5-8-11(18)13(12)15(21)14(17(20)23)16(22)19-10-6-3-2-4-7-10/h2-9,21H,1H3,(H,19,22)
InChIKey
BZKCTVZVKAXVFH-UHFFFAOYSA-N
Compound name
5-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

328.06146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 172.5
[M+Na]+ 351.05068 188.8
[M+NH4]+ 346.09528 180.2
[M+K]+ 367.02462 180.9
[M-H]- 327.05418 176.8
[M+Na-2H]- 349.03613 180.5
[M]+ 328.06091 176.4
[M]- 328.06201 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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