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 163.9
[M+Na]+ 304.07665 174.0
[M-H]- 280.08015 173.7
[M+NH4]+ 299.12125 185.0
[M+K]+ 320.05059 169.7
[M+H-H2O]+ 264.08469 158.0
[M+HCOO]- 326.08563 179.8
[M+CH3COO]- 340.10128 176.7
[M+Na-2H]- 302.06210 165.1
[M]+ 281.08688 164.3
[M]- 281.08798 164.3
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.