CID 210580

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

Structural Information

Molecular Formula
C13H18N2OS
SMILES
CCN(CC)CCOC1=NSC2=CC=CC=C21
InChI
InChI=1S/C13H18N2OS/c1-3-15(4-2)9-10-16-13-11-7-5-6-8-12(11)17-14-13/h5-8H,3-4,9-10H2,1-2H3
InChIKey
FBOHNODLWXZPOS-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yloxy)-N,N-diethylethanamine
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 155.6
[M+Na]+ 273.10320 167.7
[M+NH4]+ 268.14780 164.9
[M+K]+ 289.07714 159.9
[M-H]- 249.10670 158.7
[M+Na-2H]- 271.08865 161.8
[M]+ 250.11343 158.7
[M]- 250.11453 158.7
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.

Patent stripe

No patent data available for this compound.