CID 3059642

Lu 25053

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CC(C)(C#C)NCC(COC1=C2C=NSC2=CC=C1)O
InChI
InChI=1S/C15H18N2O2S/c1-4-15(2,3)16-8-11(18)10-19-13-6-5-7-14-12(13)9-17-20-14/h1,5-7,9,11,16,18H,8,10H2,2-3H3
InChIKey
BZUWRXWHSINBLC-UHFFFAOYSA-N
Compound name
1-(1,2-benzothiazol-4-yloxy)-3-(2-methylbut-3-yn-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.1089 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 163.4
[M+Na]+ 313.09812 173.1
[M+NH4]+ 308.14272 167.1
[M+K]+ 329.07206 164.6
[M-H]- 289.10162 156.1
[M+Na-2H]- 311.08357 164.7
[M]+ 290.10835 162.2
[M]- 290.10945 162.2
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