CID 3056203

73553-64-7

Structural Information

Molecular Formula
C14H16ClN3S
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H16ClN3S/c15-12-3-1-2-11(8-12)9-13-10-19-14(17-13)18-6-4-16-5-7-18/h1-3,8,10,16H,4-7,9H2
InChIKey
SIARHHLKFWMOHD-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.07535 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08263 164.8
[M+Na]+ 316.06457 178.9
[M+NH4]+ 311.10917 173.9
[M+K]+ 332.03851 170.1
[M-H]- 292.06807 169.5
[M+Na-2H]- 314.05002 172.9
[M]+ 293.07480 168.9
[M]- 293.07590 168.9
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