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]+ 552.295576 236.1
[M+Na]+ 574.277518 237.7
[M-H]- 550.281024 245.9
[M+NH4]+ 569.322123 240.3
[M+K]+ 590.251458 234.2
[M+H-H2O]+ 534.285560 226.6
[M+HCOO]- 596.286501 249.5
[M+CH3COO]- 610.302151 250.0
[M+Na-2H]- 572.262966 225.5
[M]+ 551.28775142 241.0
[M]- 551.28884858 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.