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 167.8
[M+Na]+ 326.12975 177.7
[M+NH4]+ 321.17435 176.5
[M+K]+ 342.10369 170.3
[M-H]- 302.13325 172.5
[M+Na-2H]- 324.11520 174.2
[M]+ 303.13998 170.8
[M]- 303.14108 170.8
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.