CID 3021876

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

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

4
Patents

261.12997 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.137246 161.2
[M+Na]+ 284.119188 166.6
[M-H]- 260.122694 164.6
[M+NH4]+ 279.163793 175.1
[M+K]+ 300.093128 160.7
[M+H-H2O]+ 244.127230 152.2
[M+HCOO]- 306.128171 170.6
[M+CH3COO]- 320.143821 170.3
[M+Na-2H]- 282.104636 158.8
[M]+ 261.12942142 153.8
[M]- 261.13051858 153.8
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