CID 6475558

Chembl39481

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC3=C(C=C2)C=CC(=C3O)C(=O)O
InChI
InChI=1S/C20H16N2O4/c1-12(23)21-15-7-2-13(3-8-15)4-9-16-10-5-14-6-11-17(20(25)26)19(24)18(14)22-16/h2-11,24H,1H3,(H,21,23)(H,25,26)/b9-4+
InChIKey
ICNAZHXCHRZCEK-RUDMXATFSA-N
Compound name
2-[(E)-2-(4-acetamidophenyl)ethenyl]-8-hydroxyquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 181.0
[M+Na]+ 371.100218 188.0
[M-H]- 347.103724 184.9
[M+NH4]+ 366.144823 191.8
[M+K]+ 387.074158 182.4
[M+H-H2O]+ 331.108260 172.1
[M+HCOO]- 393.109201 199.0
[M+CH3COO]- 407.124851 212.2
[M+Na-2H]- 369.085666 183.7
[M]+ 348.11045142 180.8
[M]- 348.11154858 180.8
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.