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

22
Patents

252.0488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.056076 152.2
[M+Na]+ 275.038018 162.0
[M-H]- 251.041524 155.9
[M+NH4]+ 270.082623 170.6
[M+K]+ 291.011958 155.3
[M+H-H2O]+ 235.046060 145.7
[M+HCOO]- 297.047001 161.5
[M+CH3COO]- 311.062651 163.9
[M+Na-2H]- 273.023466 154.3
[M]+ 252.04825142 151.9
[M]- 252.04934858 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