CID 135436186

Chembl58057

Structural Information

Molecular Formula
C17H13NO3
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
InChIKey
WNDFQQZTILEGAV-QPJJXVBHSA-N
Compound name
4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 163.4
[M+Na]+ 302.07876 172.6
[M-H]- 278.08226 166.4
[M+NH4]+ 297.12336 177.2
[M+K]+ 318.05270 165.8
[M+H-H2O]+ 262.08680 155.5
[M+HCOO]- 324.08774 181.4
[M+CH3COO]- 338.10339 174.2
[M+Na-2H]- 300.06421 168.9
[M]+ 279.08899 162.3
[M]- 279.09009 162.3
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.