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]+ 349.11828 181.0
[M+Na]+ 371.10022 188.0
[M-H]- 347.10372 184.9
[M+NH4]+ 366.14482 191.8
[M+K]+ 387.07416 182.4
[M+H-H2O]+ 331.10826 172.1
[M+HCOO]- 393.10920 199.0
[M+CH3COO]- 407.12485 212.2
[M+Na-2H]- 369.08567 183.7
[M]+ 348.11045 180.8
[M]- 348.11155 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.