CID 3281088

609794-66-3

Structural Information

Molecular Formula
C25H23NO4S
SMILES
CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=C(C=C3)OC)O)C(=O)C4=CC=CS4
InChI
InChI=1S/C25H23NO4S/c1-16-5-9-18(10-6-16)22-21(23(27)20-4-3-15-31-20)24(28)25(29)26(22)14-13-17-7-11-19(30-2)12-8-17/h3-12,15,22,28H,13-14H2,1-2H3
InChIKey
LAPPECMHNVXWLR-UHFFFAOYSA-N
Compound name
4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.13477 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.14205 205.3
[M+Na]+ 456.12399 218.5
[M+NH4]+ 451.16859 212.0
[M+K]+ 472.09793 212.7
[M-H]- 432.12749 211.3
[M+Na-2H]- 454.10944 212.5
[M]+ 433.13422 209.3
[M]- 433.13532 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.