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]+ 298.062936 165.8
[M+Na]+ 320.044878 176.4
[M-H]- 296.048384 169.9
[M+NH4]+ 315.089483 180.6
[M+K]+ 336.018818 168.3
[M+H-H2O]+ 280.052920 158.5
[M+HCOO]- 342.053861 180.6
[M+CH3COO]- 356.069511 177.1
[M+Na-2H]- 318.030326 171.2
[M]+ 297.05511142 167.4
[M]- 297.05620858 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.