CID 2772144

3-(1-piperazinyl)-1,2-benzisothiazole

Structural Information

Molecular Formula
C11H13N3S
SMILES
C1CN(CCN1)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey
KRDOFMHJLWKXIU-UHFFFAOYSA-N
Compound name
3-piperazin-1-yl-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1717
Patents

219.08302 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09030 144.9
[M+Na]+ 242.07224 153.9
[M-H]- 218.07574 147.3
[M+NH4]+ 237.11684 162.2
[M+K]+ 258.04618 148.6
[M+H-H2O]+ 202.08028 137.2
[M+HCOO]- 264.08122 158.1
[M+CH3COO]- 278.09687 156.5
[M+Na-2H]- 240.05769 148.6
[M]+ 219.08247 142.5
[M]- 219.08357 142.5
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.