CID 43135347

4-(4-chlorophenyl)piperazine-1-carbothioamide

Structural Information

Molecular Formula
C11H14ClN3S
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C(=S)N
InChI
InChI=1S/C11H14ClN3S/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKey
CRDZSEHZNBCBHU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0597 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06698 154.5
[M+Na]+ 278.04892 167.0
[M+NH4]+ 273.09352 163.3
[M+K]+ 294.02286 157.9
[M-H]- 254.05242 158.3
[M+Na-2H]- 276.03437 161.1
[M]+ 255.05915 158.0
[M]- 255.06025 158.0
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.