CID 3021876

5-(4-phenyl-1-piperazinyl)-2-pyrrolidinethione

Structural Information

Molecular Formula
C14H19N3S
SMILES
C1CC(=S)NC1N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N3S/c18-14-7-6-13(15-14)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,18)
InChIKey
HFDXGVBCOFKEQB-UHFFFAOYSA-N
Compound name
5-(4-phenylpiperazin-1-yl)pyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.12997 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13725 160.8
[M+Na]+ 284.11919 172.3
[M+NH4]+ 279.16379 169.3
[M+K]+ 300.09313 164.7
[M-H]- 260.12269 164.9
[M+Na-2H]- 282.10464 167.0
[M]+ 261.12942 163.9
[M]- 261.13052 163.9
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

patents stripe