CID 16429117

4-(4-butoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C32H37NO7
SMILES
CCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC(=C(C=C4)OCCC(C)C)OC)/O
InChI
InChI=1S/C32H37NO7/c1-5-6-16-38-24-12-9-22(10-13-24)30(34)28-29(33(32(36)31(28)35)20-25-8-7-17-39-25)23-11-14-26(27(19-23)37-4)40-18-15-21(2)3/h7-14,17,19,21,29,34H,5-6,15-16,18,20H2,1-4H3/b30-28-
InChIKey
VREYMIOHQIAJKB-HYOGKJQXSA-N
Compound name
(4Z)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.257 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.26428 234.5
[M+Na]+ 570.24622 237.7
[M-H]- 546.24972 245.3
[M+NH4]+ 565.29082 238.9
[M+K]+ 586.22016 234.7
[M+H-H2O]+ 530.25426 225.1
[M+HCOO]- 592.25520 249.8
[M+CH3COO]- 606.27085 250.0
[M+Na-2H]- 568.23167 224.6
[M]+ 547.25645 241.6
[M]- 547.25755 241.6
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.