CID 215340

1,2-benzisothiazole-3-carboxamide, n-(2-(dimethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H15N3OS
SMILES
CN(C)CCNC(=O)C1=NSC2=CC=CC=C21
InChI
InChI=1S/C12H15N3OS/c1-15(2)8-7-13-12(16)11-9-5-3-4-6-10(9)17-14-11/h3-6H,7-8H2,1-2H3,(H,13,16)
InChIKey
ZRJWUDKPKGDXTO-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1,2-benzothiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.100856 154.6
[M+Na]+ 272.082798 162.8
[M-H]- 248.086304 159.7
[M+NH4]+ 267.127403 174.3
[M+K]+ 288.056738 160.2
[M+H-H2O]+ 232.090840 147.4
[M+HCOO]- 294.091781 175.7
[M+CH3COO]- 308.107431 199.5
[M+Na-2H]- 270.068246 158.5
[M]+ 249.09303142 159.8
[M]- 249.09412858 159.8
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.