CID 3068894

1'-phenylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C17H15NOS
SMILES
C1CC2(C3=CC=CC=C3C(=S)O2)N(C1)C4=CC=CC=C4
InChI
InChI=1S/C17H15NOS/c20-16-14-9-4-5-10-15(14)17(19-16)11-6-12-18(17)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKey
ZQJOMUAHYZXBNP-UHFFFAOYSA-N
Compound name
1'-phenylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09471 162.3
[M+Na]+ 304.07665 176.0
[M+NH4]+ 299.12125 174.3
[M+K]+ 320.05059 167.4
[M-H]- 280.08015 169.3
[M+Na-2H]- 302.06210 170.5
[M]+ 281.08688 167.0
[M]- 281.08798 167.0
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.