CID 154226371

29462-30-4

Structural Information

Molecular Formula
C25H20N2O4S
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C25H20N2O4S/c28-20(14-27-24(30)16-10-4-5-11-17(16)25(27)31)26-23-21(18-12-6-7-13-19(18)32-23)22(29)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,26,28)
InChIKey
FTTOJSCYIHZOFH-UHFFFAOYSA-N
Compound name
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.11438 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12166 202.8
[M+Na]+ 467.10360 213.6
[M+NH4]+ 462.14820 209.8
[M+K]+ 483.07754 208.5
[M-H]- 443.10710 207.8
[M+Na-2H]- 465.08905 207.5
[M]+ 444.11383 205.9
[M]- 444.11493 205.9
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.