CID 54687473

879410-94-3

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

87
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 172.0
[M+Na]+ 351.05068 182.8
[M-H]- 327.05418 177.9
[M+NH4]+ 346.09528 186.0
[M+K]+ 367.02462 176.3
[M+H-H2O]+ 311.05872 164.3
[M+HCOO]- 373.05966 188.7
[M+CH3COO]- 387.07531 208.6
[M+Na-2H]- 349.03613 176.6
[M]+ 328.06091 175.4
[M]- 328.06201 175.4
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

patents stripe