CID 3054675

71572-73-1

Structural Information

Molecular Formula
C14H19NO2S
SMILES
CC(C)NCC(COC1=CSC2=CC=CC=C21)O
InChI
InChI=1S/C14H19NO2S/c1-10(2)15-7-11(16)8-17-13-9-18-14-6-4-3-5-12(13)14/h3-6,9-11,15-16H,7-8H2,1-2H3
InChIKey
WRVWBLSHLJRFGA-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.11365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 159.5
[M+Na]+ 288.10287 169.5
[M+NH4]+ 283.14747 168.0
[M+K]+ 304.07681 163.3
[M-H]- 264.10637 161.6
[M+Na-2H]- 286.08832 164.0
[M]+ 265.11310 161.9
[M]- 265.11420 161.9
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

No patent data available for this compound.