CID 210574

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

Structural Information

Molecular Formula
C14H20N2OS
SMILES
CCN(CC)CCCOC1=NSC2=CC=CC=C21
InChI
InChI=1S/C14H20N2OS/c1-3-16(4-2)10-7-11-17-14-12-8-5-6-9-13(12)18-15-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKey
XBGJEDPPUDBQHN-UHFFFAOYSA-N
Compound name
3-(1,2-benzothiazol-3-yloxy)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13692 160.0
[M+Na]+ 287.11886 171.9
[M+NH4]+ 282.16346 169.1
[M+K]+ 303.09280 163.9
[M-H]- 263.12236 163.1
[M+Na-2H]- 285.10431 166.0
[M]+ 264.12909 163.1
[M]- 264.13019 163.1
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.