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]+ 309.086976 168.1
[M+Na]+ 331.068918 175.5
[M-H]- 307.072424 172.2
[M+NH4]+ 326.113523 180.1
[M+K]+ 347.042858 165.5
[M+H-H2O]+ 291.076960 164.0
[M+HCOO]- 353.077901 188.2
[M+CH3COO]- 367.093551 195.1
[M+Na-2H]- 329.054366 175.6
[M]+ 308.07915142 166.0
[M]- 308.08024858 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.