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]+ 435.155076 201.1
[M+Na]+ 457.137018 209.3
[M-H]- 433.140524 212.5
[M+NH4]+ 452.181623 209.2
[M+K]+ 473.110958 206.4
[M+H-H2O]+ 417.145060 191.9
[M+HCOO]- 479.146001 220.0
[M+CH3COO]- 493.161651 227.6
[M+Na-2H]- 455.122466 196.5
[M]+ 434.14725142 207.6
[M]- 434.14834858 207.6
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.