CID 22028928

6-methoxy-2-(piperazin-1-yl)-1,3-benzothiazoledihydrochloride

Structural Information

Molecular Formula
C12H15N3OS
SMILES
COC1=CC2=C(C=C1)N=C(S2)N3CCNCC3
InChI
InChI=1S/C12H15N3OS/c1-16-9-2-3-10-11(8-9)17-12(14-10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKey
KZRIGTDFSPUENO-UHFFFAOYSA-N
Compound name
6-methoxy-2-piperazin-1-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

249.09358 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10086 153.5
[M+Na]+ 272.08280 166.6
[M+NH4]+ 267.12740 162.3
[M+K]+ 288.05674 159.4
[M-H]- 248.08630 156.3
[M+Na-2H]- 270.06825 159.8
[M]+ 249.09303 156.6
[M]- 249.09413 156.6
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