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]+ 304.14781 166.6
[M+Na]+ 326.12975 171.4
[M-H]- 302.13325 172.0
[M+NH4]+ 321.17435 182.7
[M+K]+ 342.10369 166.4
[M+H-H2O]+ 286.13779 158.6
[M+HCOO]- 348.13873 183.3
[M+CH3COO]- 362.15438 176.7
[M+Na-2H]- 324.11520 169.3
[M]+ 303.13998 165.3
[M]- 303.14108 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.