CID 7131991

5-chloro-2-(piperidin-4-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C12H13ClN2S
SMILES
C1CNCCC1C2=NC3=C(S2)C=CC(=C3)Cl
InChI
InChI=1S/C12H13ClN2S/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
RJJINACFKMZRQI-UHFFFAOYSA-N
Compound name
5-chloro-2-piperidin-4-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

252.0488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05608 151.9
[M+Na]+ 275.03802 166.6
[M+NH4]+ 270.08262 162.3
[M+K]+ 291.01196 157.6
[M-H]- 251.04152 156.1
[M+Na-2H]- 273.02347 159.2
[M]+ 252.04825 156.0
[M]- 252.04935 156.0
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

patents stripe