CID 210578

3-(2-(butylamino)ethoxy)-1,2-benzisothiazole monohydrochloride

Structural Information

Molecular Formula
C13H18N2OS
SMILES
CCCCNCCOC1=NSC2=CC=CC=C21
InChI
InChI=1S/C13H18N2OS/c1-2-3-8-14-9-10-16-13-11-6-4-5-7-12(11)17-15-13/h4-7,14H,2-3,8-10H2,1H3
InChIKey
GBIDZWZJCKTAJR-UHFFFAOYSA-N
Compound name
N-[2-(1,2-benzothiazol-3-yloxy)ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11398 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12126 155.5
[M+Na]+ 273.10320 167.4
[M+NH4]+ 268.14780 164.6
[M+K]+ 289.07714 159.2
[M-H]- 249.10670 158.3
[M+Na-2H]- 271.08865 161.5
[M]+ 250.11343 158.5
[M]- 250.11453 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.