CID 217753

1,2-benzisothiazole-3-carboxamide, n-(3-piperidinopropyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H21N3OS
SMILES
C1CCN(CC1)CCCNC(=O)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C16H21N3OS/c20-16(15-13-7-2-3-8-14(13)21-18-15)17-9-6-12-19-10-4-1-5-11-19/h2-3,7-8H,1,4-6,9-12H2,(H,17,20)
InChIKey
DCTCDRPLJYIYJZ-UHFFFAOYSA-N
Compound name
N-(3-piperidin-1-ylpropyl)-1,2-benzothiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 168.6
[M+Na]+ 326.12975 174.4
[M-H]- 302.13325 172.8
[M+NH4]+ 321.17435 183.8
[M+K]+ 342.10369 169.4
[M+H-H2O]+ 286.13779 160.1
[M+HCOO]- 348.13873 183.1
[M+CH3COO]- 362.15438 178.5
[M+Na-2H]- 324.11520 170.3
[M]+ 303.13998 168.5
[M]- 303.14108 168.5
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.