CID 3051857

Lu 23670

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.12454 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 163.8
[M+Na]+ 303.11376 170.5
[M-H]- 279.11726 165.7
[M+NH4]+ 298.15836 181.0
[M+K]+ 319.08770 166.9
[M+H-H2O]+ 263.12180 157.0
[M+HCOO]- 325.12274 180.2
[M+CH3COO]- 339.13839 199.0
[M+Na-2H]- 301.09921 165.4
[M]+ 280.12399 168.8
[M]- 280.12509 168.8
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