CID 5871767

371132-69-3

Structural Information

Molecular Formula
C22H25NO5S
SMILES
CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCOC)C3=CC=CS3)/O)OC(C)C
InChI
InChI=1S/C22H25NO5S/c1-13(2)28-16-8-7-15(12-14(16)3)20(24)18-19(17-6-5-11-29-17)23(9-10-27-4)22(26)21(18)25/h5-8,11-13,19,24H,9-10H2,1-4H3/b20-18+
InChIKey
KGRAESWUOUYUQI-CZIZESTLSA-N
Compound name
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14536 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15264 201.0
[M+Na]+ 438.13458 210.0
[M+NH4]+ 433.17918 205.9
[M+K]+ 454.10852 206.9
[M-H]- 414.13808 202.9
[M+Na-2H]- 436.12003 203.2
[M]+ 415.14481 202.9
[M]- 415.14591 202.9
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.