CID 135491455

Chembl188293

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C1=CC(=CN=C1)C(=O)C2=C(C3=C(C=CC(=N3)/C=C/C4=CC(=C(C=C4)O)O)C=C2)O
InChI
InChI=1S/C23H16N2O4/c26-19-10-4-14(12-20(19)27)3-7-17-8-5-15-6-9-18(23(29)21(15)25-17)22(28)16-2-1-11-24-13-16/h1-13,26-27,29H/b7-3+
InChIKey
KOXMUIJVVUZLEA-XVNBXDOJSA-N
Compound name
[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxyquinolin-7-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.111 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11828 192.3
[M+Na]+ 407.10022 200.3
[M-H]- 383.10372 196.9
[M+NH4]+ 402.14482 199.5
[M+K]+ 423.07416 192.6
[M+H-H2O]+ 367.10826 181.5
[M+HCOO]- 429.10920 207.1
[M+CH3COO]- 443.12485 200.4
[M+Na-2H]- 405.08567 195.3
[M]+ 384.11045 191.4
[M]- 384.11155 191.4
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.