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 201.1
[M+Na]+ 457.13702 209.3
[M-H]- 433.14052 212.5
[M+NH4]+ 452.18162 209.2
[M+K]+ 473.11096 206.4
[M+H-H2O]+ 417.14506 191.9
[M+HCOO]- 479.14600 220.0
[M+CH3COO]- 493.16165 227.6
[M+Na-2H]- 455.12247 196.5
[M]+ 434.14725 207.6
[M]- 434.14835 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.