CID 16429106

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

Structural Information

Molecular Formula
C31H39NO7
SMILES
CCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3CCCO3)C4=CC(=C(C=C4)OCCCC)OC)/O
InChI
InChI=1S/C31H39NO7/c1-4-6-16-37-23-13-10-21(11-14-23)29(33)27-28(32(31(35)30(27)34)20-24-9-8-18-38-24)22-12-15-25(26(19-22)36-3)39-17-7-5-2/h10-15,19,24,28,33H,4-9,16-18,20H2,1-3H3/b29-27-
InChIKey
BFQQDZKCTPPBKX-OHYPFYFLSA-N
Compound name
(4Z)-5-(4-butoxy-3-methoxyphenyl)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.27264 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.27992 231.8
[M+Na]+ 560.26186 234.0
[M-H]- 536.26536 241.9
[M+NH4]+ 555.30646 236.7
[M+K]+ 576.23580 230.6
[M+H-H2O]+ 520.26990 222.5
[M+HCOO]- 582.27084 245.6
[M+CH3COO]- 596.28649 247.1
[M+Na-2H]- 558.24731 221.8
[M]+ 537.27209 236.5
[M]- 537.27319 236.5
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.