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 154.6
[M+Na]+ 278.04892 161.6
[M-H]- 254.05242 157.6
[M+NH4]+ 273.09352 169.7
[M+K]+ 294.02286 155.6
[M+H-H2O]+ 238.05696 147.3
[M+HCOO]- 300.05790 162.9
[M+CH3COO]- 314.07355 164.9
[M+Na-2H]- 276.03437 154.8
[M]+ 255.05915 151.3
[M]- 255.06025 151.3
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