CID 22028928

6-methoxy-2-(piperazin-1-yl)-1,3-benzothiazole dihydrochloride

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

42
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 153.2
[M+Na]+ 272.08280 162.3
[M-H]- 248.08630 155.7
[M+NH4]+ 267.12740 169.4
[M+K]+ 288.05674 157.3
[M+H-H2O]+ 232.09084 145.4
[M+HCOO]- 294.09178 166.2
[M+CH3COO]- 308.10743 164.5
[M+Na-2H]- 270.06825 155.8
[M]+ 249.09303 152.9
[M]- 249.09413 152.9
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

No patent data available for this compound.