CID 135407385

Chembl61800

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H12N2O4/c20-15-9-5-11(10-16(15)21)4-7-13-8-6-12-2-1-3-14(19(22)23)17(12)18-13/h1-10,20-21H/b7-4+
InChIKey
SUQHOZYLBZTZAT-QPJJXVBHSA-N
Compound name
4-[(E)-2-(8-nitroquinolin-2-yl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.0797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 168.1
[M+Na]+ 331.06892 175.5
[M-H]- 307.07242 172.2
[M+NH4]+ 326.11352 180.1
[M+K]+ 347.04286 165.5
[M+H-H2O]+ 291.07696 164.0
[M+HCOO]- 353.07790 188.2
[M+CH3COO]- 367.09355 195.1
[M+Na-2H]- 329.05437 175.6
[M]+ 308.07915 166.0
[M]- 308.08025 166.0
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.