CID 3063642

Pyrrolidine, 1-((1-(phenylthio)cyclopentyl)carbonyl)-

Structural Information

Molecular Formula
C16H21NOS
SMILES
C1CCC(C1)(C(=O)N2CCCC2)SC3=CC=CC=C3
InChI
InChI=1S/C16H21NOS/c18-15(17-12-6-7-13-17)16(10-4-5-11-16)19-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKey
PMVXFUFCUBYCKZ-UHFFFAOYSA-N
Compound name
(1-phenylsulfanylcyclopentyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14168 165.8
[M+Na]+ 298.12362 175.2
[M+NH4]+ 293.16822 176.5
[M+K]+ 314.09756 167.7
[M-H]- 274.12712 170.4
[M+Na-2H]- 296.10907 173.4
[M]+ 275.13385 168.9
[M]- 275.13495 168.9
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.