CID 5737141

488860-46-4

Structural Information

Molecular Formula
C26H25NO5
SMILES
CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2CC4=CC=CO4
InChI
InChI=1S/C26H25NO5/c1-16(2)17-6-8-18(9-7-17)23-22(24(28)19-10-12-20(31-3)13-11-19)25(29)26(30)27(23)15-21-5-4-14-32-21/h4-14,16,23,28H,15H2,1-3H3/b24-22+
InChIKey
IUMNLIPDPAHJGZ-ZNTNEXAZSA-N
Compound name
(4E)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 204.3
[M+Na]+ 454.16250 216.5
[M+NH4]+ 449.20710 209.4
[M+K]+ 470.13644 214.6
[M-H]- 430.16600 210.3
[M+Na-2H]- 452.14795 209.6
[M]+ 431.17273 207.6
[M]- 431.17383 207.6
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.