CID 2937818

611194-19-5

Structural Information

Molecular Formula
C25H23N3O5S
SMILES
CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CO3)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C25H23N3O5S/c1-14(28-24(31)16-8-2-3-9-17(16)25(28)32)21(29)27-23-20(18-10-4-5-11-19(18)34-23)22(30)26-13-15-7-6-12-33-15/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,26,30)(H,27,29)
InChIKey
CEXOUSIZEMHHKJ-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

477.13583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.14311 209.8
[M+Na]+ 500.12505 217.8
[M+NH4]+ 495.16965 215.2
[M+K]+ 516.09899 217.0
[M-H]- 476.12855 215.0
[M+Na-2H]- 498.11050 212.3
[M]+ 477.13528 212.4
[M]- 477.13638 212.4
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.