CID 3068891

1'-butyl-5-chlorospiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one hydrobromide

Structural Information

Molecular Formula
C15H18ClNOS
SMILES
CCCCN1CCCC12C3=C(C=C(C=C3)Cl)C(=S)O2
InChI
InChI=1S/C15H18ClNOS/c1-2-3-8-17-9-4-7-15(17)13-6-5-11(16)10-12(13)14(19)18-15/h5-6,10H,2-4,7-9H2,1H3
InChIKey
RIAPNCWPZIFYCE-UHFFFAOYSA-N
Compound name
1'-butyl-6-chlorospiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07977 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08705 168.4
[M+Na]+ 318.06899 179.0
[M-H]- 294.07249 174.8
[M+NH4]+ 313.11359 190.4
[M+K]+ 334.04293 174.0
[M+H-H2O]+ 278.07703 164.2
[M+HCOO]- 340.07797 178.4
[M+CH3COO]- 354.09362 180.7
[M+Na-2H]- 316.05444 167.6
[M]+ 295.07922 172.6
[M]- 295.08032 172.6
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.