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 165.2
[M+Na]+ 303.11376 172.8
[M-H]- 279.11726 167.4
[M+NH4]+ 298.15836 182.8
[M+K]+ 319.08770 169.1
[M+H-H2O]+ 263.12180 159.0
[M+HCOO]- 325.12274 181.2
[M+CH3COO]- 339.13839 197.8
[M+Na-2H]- 301.09921 168.8
[M]+ 280.12399 170.3
[M]- 280.12509 170.3
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