CID 3056205

73553-65-8

Structural Information

Molecular Formula
C14H16ClN3S
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)9-13-10-19-14(17-13)18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKey
NFZSVLPRLZPLKQ-UHFFFAOYSA-N
Compound name
4-[(4-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 164.7
[M+Na]+ 316.06457 172.5
[M-H]- 292.06807 168.7
[M+NH4]+ 311.10917 178.4
[M+K]+ 332.03851 165.3
[M+H-H2O]+ 276.07261 155.9
[M+HCOO]- 338.07355 172.1
[M+CH3COO]- 352.08920 174.5
[M+Na-2H]- 314.05002 163.9
[M]+ 293.07480 162.6
[M]- 293.07590 162.6
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