CID 24261842

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine dihydrochloride

Structural Information

Molecular Formula
C14H15ClN2S
SMILES
C1CNCCC1C2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H15ClN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2
InChIKey
CMAURUWXPKFGBL-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

278.06445 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07173 161.2
[M+Na]+ 301.05367 169.0
[M-H]- 277.05717 166.7
[M+NH4]+ 296.09827 176.9
[M+K]+ 317.02761 162.0
[M+H-H2O]+ 261.06171 153.4
[M+HCOO]- 323.06265 170.0
[M+CH3COO]- 337.07830 171.8
[M+Na-2H]- 299.03912 160.5
[M]+ 278.06390 158.7
[M]- 278.06500 158.7
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