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 161.4
[M+Na]+ 302.08215 172.2
[M-H]- 278.08565 168.4
[M+NH4]+ 297.12675 183.3
[M+K]+ 318.05609 170.1
[M+H-H2O]+ 262.09019 157.3
[M+HCOO]- 324.09113 176.8
[M+CH3COO]- 338.10678 174.7
[M+Na-2H]- 300.06760 161.9
[M]+ 279.09238 166.9
[M]- 279.09348 166.9
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.