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 154.5
[M+Na]+ 287.06472 164.6
[M-H]- 263.06822 159.4
[M+NH4]+ 282.10932 172.7
[M+K]+ 303.03866 158.4
[M+H-H2O]+ 247.07276 148.1
[M+HCOO]- 309.07370 164.7
[M+CH3COO]- 323.08935 166.2
[M+Na-2H]- 285.05017 155.1
[M]+ 264.07495 155.0
[M]- 264.07605 155.0
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