CID 213687

Brn 0436539

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C(NC2=C(C3=C(C=CC=N3)C=C2)O)O
InChI
InChI=1S/C17H13ClN2O3/c18-12-5-1-3-11(9-12)15(21)17(23)20-13-7-6-10-4-2-8-19-14(10)16(13)22/h1-9,17,20,22-23H
InChIKey
VDQQYEICLSMFHC-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 172.9
[M+Na]+ 351.05068 187.5
[M+NH4]+ 346.09528 180.3
[M+K]+ 367.02462 180.5
[M-H]- 327.05418 176.6
[M+Na-2H]- 349.03613 180.5
[M]+ 328.06091 176.2
[M]- 328.06201 176.2
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.