CID 5838581

3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(3-pyridinylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C30H32N2O7
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)/O)OC(C)C
InChI
InChI=1S/C30H32N2O7/c1-17(2)39-22-10-9-20(12-18(22)3)27(33)25-26(21-13-23(36-4)29(38-6)24(14-21)37-5)32(30(35)28(25)34)16-19-8-7-11-31-15-19/h7-15,17,26,33H,16H2,1-6H3/b27-25-
InChIKey
BRKAGFMCNCWJPJ-RFBIWTDZSA-N
Compound name
(4Z)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.22095 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.22823 230.9
[M+Na]+ 555.21017 243.5
[M+NH4]+ 550.25477 233.5
[M+K]+ 571.18411 240.0
[M-H]- 531.21367 234.8
[M+Na-2H]- 553.19562 235.4
[M]+ 532.22040 233.5
[M]- 532.22150 233.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.