CID 213688

Brn 0445260

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C(NC2=CC(=C3C=CC=NC3=C2O)Cl)O
InChI
InChI=1S/C17H12Cl2N2O3/c18-10-4-1-3-9(7-10)15(22)17(24)21-13-8-12(19)11-5-2-6-20-14(11)16(13)23/h1-8,17,21,23-24H
InChIKey
OLLGOQSVEFYUEE-UHFFFAOYSA-N
Compound name
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(3-chlorophenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 175.1
[M+Na]+ 385.01172 184.2
[M-H]- 361.01522 178.7
[M+NH4]+ 380.05632 187.2
[M+K]+ 400.98566 177.2
[M+H-H2O]+ 345.01976 168.6
[M+HCOO]- 407.02070 184.3
[M+CH3COO]- 421.03635 184.9
[M+Na-2H]- 382.99717 178.5
[M]+ 362.02195 178.2
[M]- 362.02305 178.2
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.