CID 764351

4-(4-methylphenyl)-n-phenylpiperazine-1-carbothioamide

Structural Information

Molecular Formula
C18H21N3S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)20-11-13-21(14-12-20)18(22)19-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKey
UKQWHQCLFVMXSX-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-N-phenylpiperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

311.14563 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 172.8
[M+Na]+ 334.13485 177.7
[M-H]- 310.13835 178.8
[M+NH4]+ 329.17945 184.5
[M+K]+ 350.10879 171.1
[M+H-H2O]+ 294.14289 162.8
[M+HCOO]- 356.14383 185.6
[M+CH3COO]- 370.15948 181.8
[M+Na-2H]- 332.12030 173.7
[M]+ 311.14508 168.3
[M]- 311.14618 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.