CID 3856728

2-(piperazin-1-ylmethyl)-1,3-benzothiazole dihydrochloride

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1CN(CCN1)CC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H15N3S/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15/h1-4,13H,5-9H2
InChIKey
DMMLNYGSUHAMCP-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.09866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10594 149.6
[M+Na]+ 256.08788 162.9
[M+NH4]+ 251.13248 159.0
[M+K]+ 272.06182 154.9
[M-H]- 232.09138 152.8
[M+Na-2H]- 254.07333 156.6
[M]+ 233.09811 152.8
[M]- 233.09921 152.8
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