CID 135439519

Chembl418613

Structural Information

Molecular Formula
C18H13NO4
SMILES
C1=CC(=NC2=C1C=CC(=C2O)C(=O)O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C18H13NO4/c20-14-8-2-11(3-9-14)1-6-13-7-4-12-5-10-15(18(22)23)17(21)16(12)19-13/h1-10,20-21H,(H,22,23)/b6-1+
InChIKey
DXDQPFWGDWVGIG-LZCJLJQNSA-N
Compound name
8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

307.08447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 169.7
[M+Na]+ 330.07369 178.1
[M-H]- 306.07719 172.6
[M+NH4]+ 325.11829 182.0
[M+K]+ 346.04763 171.9
[M+H-H2O]+ 290.08173 161.6
[M+HCOO]- 352.08267 186.6
[M+CH3COO]- 366.09832 199.2
[M+Na-2H]- 328.05914 173.5
[M]+ 307.08392 169.1
[M]- 307.08502 169.1
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.