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 149.6
[M+Na]+ 273.04906 159.2
[M-H]- 249.05256 154.4
[M+NH4]+ 268.09366 168.1
[M+K]+ 289.02300 153.8
[M+H-H2O]+ 233.05710 143.1
[M+HCOO]- 295.05804 160.1
[M+CH3COO]- 309.07369 161.5
[M+Na-2H]- 271.03451 151.4
[M]+ 250.05929 150.1
[M]- 250.06039 150.1
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