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]+ 297.12676 168.0
[M+Na]+ 319.10870 175.2
[M-H]- 295.11220 170.1
[M+NH4]+ 314.15330 184.6
[M+K]+ 335.08264 172.1
[M+H-H2O]+ 279.11674 161.6
[M+HCOO]- 341.11768 184.2
[M+CH3COO]- 355.13333 200.6
[M+Na-2H]- 317.09415 171.9
[M]+ 296.11893 174.6
[M]- 296.12003 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.