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 152.2
[M+Na]+ 275.03802 162.0
[M-H]- 251.04152 155.9
[M+NH4]+ 270.08262 170.6
[M+K]+ 291.01196 155.3
[M+H-H2O]+ 235.04606 145.7
[M+HCOO]- 297.04700 161.5
[M+CH3COO]- 311.06265 163.9
[M+Na-2H]- 273.02347 154.3
[M]+ 252.04825 151.9
[M]- 252.04935 151.9
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