CID 3064365

Lu 23843

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CC(COC)NC(C)(COC1=C2C=NSC2=CC=C1)O
InChI
InChI=1S/C14H20N2O3S/c1-10(8-18-3)16-14(2,17)9-19-12-5-4-6-13-11(12)7-15-20-13/h4-7,10,16-17H,8-9H2,1-3H3
InChIKey
KUTNPSSCQMXMQS-UHFFFAOYSA-N
Compound name
1-(1,2-benzothiazol-4-yloxy)-2-(1-methoxypropan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.11948 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.126756 168.0
[M+Na]+ 319.108698 175.2
[M-H]- 295.112204 170.1
[M+NH4]+ 314.153303 184.6
[M+K]+ 335.082638 172.1
[M+H-H2O]+ 279.116740 161.6
[M+HCOO]- 341.117681 184.2
[M+CH3COO]- 355.133331 200.6
[M+Na-2H]- 317.094146 171.9
[M]+ 296.11893142 174.6
[M]- 296.12002858 174.6
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.