CID 135493458

Chembl96959

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=NC4=C(C=CC=C4O)C=C3
InChI
InChI=1S/C20H14N2O2/c23-17-5-1-3-13-7-9-15(21-19(13)17)11-12-16-10-8-14-4-2-6-18(24)20(14)22-16/h1-12,23-24H/b12-11+
InChIKey
VLHRWFKWETULPS-VAWYXSNFSA-N
Compound name
2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 174.2
[M+Na]+ 337.09475 184.8
[M-H]- 313.09825 178.1
[M+NH4]+ 332.13935 186.6
[M+K]+ 353.06869 176.4
[M+H-H2O]+ 297.10279 164.3
[M+HCOO]- 359.10373 192.0
[M+CH3COO]- 373.11938 184.6
[M+Na-2H]- 335.08020 182.4
[M]+ 314.10498 174.9
[M]- 314.10608 174.9
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.