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

1724
Patents

219.08302 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 144.9
[M+Na]+ 242.072238 153.9
[M-H]- 218.075744 147.3
[M+NH4]+ 237.116843 162.2
[M+K]+ 258.046178 148.6
[M+H-H2O]+ 202.080280 137.2
[M+HCOO]- 264.081221 158.1
[M+CH3COO]- 278.096871 156.5
[M+Na-2H]- 240.057686 148.6
[M]+ 219.08247142 142.5
[M]- 219.08356858 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

literature stripe

Patent stripe

patents stripe