CID 113763

5-chloro-7-((2-chloro-beta-hydroxy-alpha-oxo)phenethylamino)-2-quinolinol

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)C(NC2=CC3=C(C=CC(=O)N3)C(=C2)Cl)O)Cl
InChI
InChI=1S/C17H12Cl2N2O3/c18-12-4-2-1-3-11(12)16(23)17(24)20-9-7-13(19)10-5-6-15(22)21-14(10)8-9/h1-8,17,20,24H,(H,21,22)
InChIKey
AWKHHXJAKHKFKA-UHFFFAOYSA-N
Compound name
5-chloro-7-[[2-(2-chlorophenyl)-1-hydroxy-2-oxoethyl]amino]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0225 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 178.0
[M+Na]+ 385.01172 193.5
[M+NH4]+ 380.05632 185.2
[M+K]+ 400.98566 185.8
[M-H]- 361.01522 181.4
[M+Na-2H]- 382.99717 185.2
[M]+ 362.02195 181.7
[M]- 362.02305 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.