CID 135433280

Chembl240332

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C17H12ClNO2/c18-13-6-9-15(20)12(10-13)5-8-14-7-4-11-2-1-3-16(21)17(11)19-14/h1-10,20-21H/b8-5+
InChIKey
SOUQJSULOJWRAI-VMPITWQZSA-N
Compound name
2-[(E)-2-(5-chloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

297.05566 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 165.8
[M+Na]+ 320.04488 176.4
[M-H]- 296.04838 169.9
[M+NH4]+ 315.08948 180.6
[M+K]+ 336.01882 168.3
[M+H-H2O]+ 280.05292 158.5
[M+HCOO]- 342.05386 180.6
[M+CH3COO]- 356.06951 177.1
[M+Na-2H]- 318.03033 171.2
[M]+ 297.05511 167.4
[M]- 297.05621 167.4
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

No patent data available for this compound.