CID 3058720

1-(benzo(b)thien-3-yloxy)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C21H25NO4S
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CSC3=CC=CC=C32)O)OC
InChI
InChI=1S/C21H25NO4S/c1-24-18-8-7-15(11-19(18)25-2)9-10-22-12-16(23)13-26-20-14-27-21-6-4-3-5-17(20)21/h3-8,11,14,16,22-23H,9-10,12-13H2,1-2H3
InChIKey
FTGMKECRYGEOTK-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yloxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.15042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15770 191.3
[M+Na]+ 410.13964 203.0
[M+NH4]+ 405.18424 198.8
[M+K]+ 426.11358 195.4
[M-H]- 386.14314 195.4
[M+Na-2H]- 408.12509 197.4
[M]+ 387.14987 194.6
[M]- 387.15097 194.6
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.