CID 3146599

439947-71-4

Structural Information

Molecular Formula
C24H22N2O6
SMILES
CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4=CN=CC=C4)O
InChI
InChI=1S/C24H22N2O6/c1-14-6-8-18(32-14)22(27)20-21(16-7-9-17(30-2)19(11-16)31-3)26(24(29)23(20)28)13-15-5-4-10-25-12-15/h4-12,21,28H,13H2,1-3H3
InChIKey
DWIBQYBEMBAJNB-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

434.1478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15508 203.4
[M+Na]+ 457.13702 216.8
[M+NH4]+ 452.18162 207.8
[M+K]+ 473.11096 215.6
[M-H]- 433.14052 209.0
[M+Na-2H]- 455.12247 209.2
[M]+ 434.14725 206.7
[M]- 434.14835 206.7
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.