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 155.8
[M+Na]+ 273.10320 164.6
[M-H]- 249.10670 160.8
[M+NH4]+ 268.14780 176.0
[M+K]+ 289.07714 161.9
[M+H-H2O]+ 233.11124 148.7
[M+HCOO]- 295.11218 176.5
[M+CH3COO]- 309.12783 198.2
[M+Na-2H]- 271.08865 159.5
[M]+ 250.11343 163.4
[M]- 250.11453 163.4
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

patents stripe