CID 16429091

1-(2-furylmethyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(4-propoxybenzoyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H35NO7
SMILES
CCCCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)OCCC)/O)/C(=O)C(=O)N2CC4=CC=CO4)OC
InChI
InChI=1S/C31H35NO7/c1-4-6-7-17-39-25-15-12-22(19-26(25)36-3)28-27(29(33)21-10-13-23(14-11-21)37-16-5-2)30(34)31(35)32(28)20-24-9-8-18-38-24/h8-15,18-19,28,33H,4-7,16-17,20H2,1-3H3/b29-27-
InChIKey
ODIAIUWOWINAIG-OHYPFYFLSA-N
Compound name
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.24133 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.24861 230.4
[M+Na]+ 556.23055 234.4
[M-H]- 532.23405 241.3
[M+NH4]+ 551.27515 235.5
[M+K]+ 572.20449 230.9
[M+H-H2O]+ 516.23859 220.8
[M+HCOO]- 578.23953 247.0
[M+CH3COO]- 592.25518 246.3
[M+Na-2H]- 554.21600 222.0
[M]+ 533.24078 237.7
[M]- 533.24188 237.7
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.