CID 135429924

Nsc612223

Structural Information

Molecular Formula
C23H20N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=C(C(=O)N2)C3=NC4=CC=CC=C4C=C3)O
InChI
InChI=1S/C23H20N2O5/c1-28-19-10-14(11-20(29-2)22(19)30-3)17-12-18(26)21(23(27)25-17)16-9-8-13-6-4-5-7-15(13)24-16/h4-12H,1-3H3,(H2,25,26,27)
InChIKey
YWPPHDQAYFSWOW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-quinolin-2-yl-6-(3,4,5-trimethoxyphenyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

404.1372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14448 198.2
[M+Na]+ 427.12642 207.9
[M-H]- 403.12992 204.6
[M+NH4]+ 422.17102 205.7
[M+K]+ 443.10036 202.0
[M+H-H2O]+ 387.13446 186.5
[M+HCOO]- 449.13540 215.1
[M+CH3COO]- 463.15105 207.3
[M+Na-2H]- 425.11187 201.0
[M]+ 404.13665 202.4
[M]- 404.13775 202.4
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.