CID 3068885

5,6-dimethoxy-1'-methylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C14H17NO3S
SMILES
CN1CCCC12C3=CC(=C(C=C3C(=S)O2)OC)OC
InChI
InChI=1S/C14H17NO3S/c1-15-6-4-5-14(15)10-8-12(17-3)11(16-2)7-9(10)13(19)18-14/h7-8H,4-6H2,1-3H3
InChIKey
JGBKCXYTXDKZNK-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10021 162.7
[M+Na]+ 302.08215 173.6
[M+NH4]+ 297.12675 172.8
[M+K]+ 318.05609 167.6
[M-H]- 278.08565 166.0
[M+Na-2H]- 300.06760 166.3
[M]+ 279.09238 165.8
[M]- 279.09348 165.8
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.