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 170.8
[M+Na]+ 351.05068 178.6
[M-H]- 327.05418 174.6
[M+NH4]+ 346.09528 183.3
[M+K]+ 367.02462 172.4
[M+H-H2O]+ 311.05872 163.2
[M+HCOO]- 373.05966 184.8
[M+CH3COO]- 387.07531 180.8
[M+Na-2H]- 349.03613 175.4
[M]+ 328.06091 171.8
[M]- 328.06201 171.8
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.