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 161.2
[M+Na]+ 284.11919 166.6
[M-H]- 260.12269 164.6
[M+NH4]+ 279.16379 175.1
[M+K]+ 300.09313 160.7
[M+H-H2O]+ 244.12723 152.2
[M+HCOO]- 306.12817 170.6
[M+CH3COO]- 320.14382 170.3
[M+Na-2H]- 282.10464 158.8
[M]+ 261.12942 153.8
[M]- 261.13052 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