CID 16429102

4-(4-butoxybenzoyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C32H41NO7
SMILES
CCCCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OCCCC)/O)/C(=O)C(=O)N2CC4CCCO4)OC
InChI
InChI=1S/C32H41NO7/c1-4-6-8-18-40-26-16-13-23(20-27(26)37-3)29-28(31(35)32(36)33(29)21-25-10-9-19-39-25)30(34)22-11-14-24(15-12-22)38-17-7-5-2/h11-16,20,25,29,34H,4-10,17-19,21H2,1-3H3/b30-28-
InChIKey
FEJGBVKJWZSKFN-HYOGKJQXSA-N
Compound name
(4Z)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-pentoxyphenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.2883 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.29558 236.1
[M+Na]+ 574.27752 237.7
[M-H]- 550.28102 245.9
[M+NH4]+ 569.32212 240.3
[M+K]+ 590.25146 234.2
[M+H-H2O]+ 534.28556 226.6
[M+HCOO]- 596.28650 249.5
[M+CH3COO]- 610.30215 250.0
[M+Na-2H]- 572.26297 225.5
[M]+ 551.28775 241.0
[M]- 551.28885 241.0
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.