CID 33608

2-(piperidinothio)benzothiazole

Structural Information

Molecular Formula
C12H14N2S2
SMILES
C1CCN(CC1)SC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2S2/c1-4-8-14(9-5-1)16-12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
CAHGZULPDQXGMZ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylsulfanyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.05984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06712 148.6
[M+Na]+ 273.04906 162.0
[M+NH4]+ 268.09366 159.4
[M+K]+ 289.02300 151.7
[M-H]- 249.05256 153.4
[M+Na-2H]- 271.03451 155.9
[M]+ 250.05929 153.0
[M]- 250.06039 153.0
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