CID 3052157

Lu 24938

Structural Information

Molecular Formula
C14H20N2O2S
SMILES
CC(C)(C)NCC(COC1=C2C=NSC2=CC=C1)O
InChI
InChI=1S/C14H20N2O2S/c1-14(2,3)15-7-10(17)9-18-12-5-4-6-13-11(12)8-16-19-13/h4-6,8,10,15,17H,7,9H2,1-3H3
InChIKey
KEOAVHVLEQAUMH-UHFFFAOYSA-N
Compound name
1-(1,2-benzothiazol-4-yloxy)-3-(tert-butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.12454 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 164.6
[M+Na]+ 303.11376 174.5
[M+NH4]+ 298.15836 172.2
[M+K]+ 319.08770 169.0
[M-H]- 279.11726 165.5
[M+Na-2H]- 301.09921 168.9
[M]+ 280.12399 166.6
[M]- 280.12509 166.6
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

patents stripe