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

20
Patents

250.05984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.067116 149.6
[M+Na]+ 273.049058 159.2
[M-H]- 249.052564 154.4
[M+NH4]+ 268.093663 168.1
[M+K]+ 289.022998 153.8
[M+H-H2O]+ 233.057100 143.1
[M+HCOO]- 295.058041 160.1
[M+CH3COO]- 309.073691 161.5
[M+Na-2H]- 271.034506 151.4
[M]+ 250.05929142 150.1
[M]- 250.06038858 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