CID 215342

N-(2-(cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride

Structural Information

Molecular Formula
C16H21N3OS
SMILES
C1CCC(CC1)NCCNC(=O)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C16H21N3OS/c20-16(15-13-8-4-5-9-14(13)21-19-15)18-11-10-17-12-6-2-1-3-7-12/h4-5,8-9,12,17H,1-3,6-7,10-11H2,(H,18,20)
InChIKey
DYTVUGNLPPXQJK-UHFFFAOYSA-N
Compound name
N-[2-(cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.147806 166.6
[M+Na]+ 326.129748 171.4
[M-H]- 302.133254 172.0
[M+NH4]+ 321.174353 182.7
[M+K]+ 342.103688 166.4
[M+H-H2O]+ 286.137790 158.6
[M+HCOO]- 348.138731 183.3
[M+CH3COO]- 362.154381 176.7
[M+Na-2H]- 324.115196 169.3
[M]+ 303.13998142 165.3
[M]- 303.14107858 165.3
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.