CID 3068899

1'-methylspiro(naphtho(2,3-c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C16H15NOS
SMILES
CN1CCCC12C3=CC4=CC=CC=C4C=C3C(=S)O2
InChI
InChI=1S/C16H15NOS/c1-17-8-4-7-16(17)14-10-12-6-3-2-5-11(12)9-13(14)15(19)18-16/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey
PWLDSICEADTNJC-UHFFFAOYSA-N
Compound name
1'-methylspiro[benzo[f][2]benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09471 160.1
[M+Na]+ 292.07665 171.4
[M-H]- 268.08015 167.9
[M+NH4]+ 287.12125 183.3
[M+K]+ 308.05059 167.1
[M+H-H2O]+ 252.08469 155.3
[M+HCOO]- 314.08563 174.6
[M+CH3COO]- 328.10128 173.3
[M+Na-2H]- 290.06210 162.0
[M]+ 269.08688 162.0
[M]- 269.08798 162.0
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.