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

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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 166.4
[M+Na]+ 318.06899 178.6
[M+NH4]+ 313.11359 177.6
[M+K]+ 334.04293 170.1
[M-H]- 294.07249 170.6
[M+Na-2H]- 316.05444 170.8
[M]+ 295.07922 170.3
[M]- 295.08032 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.