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

3
Patents

290.1089 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.116176 176.6
[M+Na]+ 313.098118 186.3
[M-H]- 289.101624 177.1
[M+NH4]+ 308.142723 191.4
[M+K]+ 329.072058 180.7
[M+H-H2O]+ 273.106160 164.0
[M+HCOO]- 335.107101 186.8
[M+CH3COO]- 349.122751 206.0
[M+Na-2H]- 311.083566 177.8
[M]+ 290.10835142 175.3
[M]- 290.10944858 175.3
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