CID 135504127

Chembl58191

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC2=C(C(=C1)N)N=C(C=C2)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H14N2O2/c18-14-3-1-2-12-6-8-13(19-17(12)14)7-4-11-5-9-15(20)16(21)10-11/h1-10,20-21H,18H2/b7-4+
InChIKey
PIAVAJGOHKOQGW-QPJJXVBHSA-N
Compound name
4-[(E)-2-(8-aminoquinolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.2
[M+Na]+ 301.09475 173.1
[M-H]- 277.09825 168.0
[M+NH4]+ 296.13935 178.3
[M+K]+ 317.06869 166.2
[M+H-H2O]+ 261.10279 156.0
[M+HCOO]- 323.10373 183.9
[M+CH3COO]- 337.11938 175.1
[M+Na-2H]- 299.08020 169.6
[M]+ 278.10498 161.9
[M]- 278.10608 161.9
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.