CID 16429096

4-(4-butoxybenzoyl)-3-hydroxy-5-(3-phenoxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C32H33NO6
SMILES
CCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=CC=C4)OC5=CC=CC=C5)/O
InChI
InChI=1S/C32H33NO6/c1-2-3-18-37-24-16-14-22(15-17-24)30(34)28-29(33(32(36)31(28)35)21-27-13-8-19-38-27)23-9-7-12-26(20-23)39-25-10-5-4-6-11-25/h4-7,9-12,14-17,20,27,29,34H,2-3,8,13,18-19,21H2,1H3/b30-28-
InChIKey
BANRASABKFJPOO-HYOGKJQXSA-N
Compound name
(4Z)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.2308 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.23808 227.9
[M+Na]+ 550.22002 230.1
[M-H]- 526.22352 241.0
[M+NH4]+ 545.26462 232.2
[M+K]+ 566.19396 225.7
[M+H-H2O]+ 510.22806 217.4
[M+HCOO]- 572.22900 242.3
[M+CH3COO]- 586.24465 242.9
[M+Na-2H]- 548.20547 219.2
[M]+ 527.23025 228.2
[M]- 527.23135 228.2
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.