CID 248759

3-(piperidinomethyl)-2-benzothiazolinethione

Structural Information

Molecular Formula
C13H16N2S2
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3SC2=S
InChI
InChI=1S/C13H16N2S2/c16-13-15(10-14-8-4-1-5-9-14)11-6-2-3-7-12(11)17-13/h2-3,6-7H,1,4-5,8-10H2
InChIKey
GXIUDZGNAWJOFH-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

264.0755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08278 153.9
[M+Na]+ 287.06472 167.4
[M+NH4]+ 282.10932 164.2
[M+K]+ 303.03866 157.0
[M-H]- 263.06822 158.5
[M+Na-2H]- 285.05017 160.5
[M]+ 264.07495 158.2
[M]- 264.07605 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe