CID 53424977

3-(1,2-benzisothiazol-3-yloxy)-n,n-dimethylpropylamine

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CN(C)CCCOC1=NSC2=CC=CC=C21
InChI
InChI=1S/C12H16N2OS/c1-14(2)8-5-9-15-12-10-6-3-4-7-11(10)16-13-12/h3-4,6-7H,5,8-9H2,1-2H3
InChIKey
DGIHFDIGJDJNCK-UHFFFAOYSA-N
Compound name
3-(1,2-benzothiazol-3-yloxy)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.105606 151.3
[M+Na]+ 259.087548 160.5
[M-H]- 235.091054 156.4
[M+NH4]+ 254.132153 172.0
[M+K]+ 275.061488 158.0
[M+H-H2O]+ 219.095590 144.3
[M+HCOO]- 281.096531 172.3
[M+CH3COO]- 295.112181 195.3
[M+Na-2H]- 257.072996 155.5
[M]+ 236.09778142 158.6
[M]- 236.09887858 158.6
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.