CID 3069910

85462-93-7

Structural Information

Molecular Formula
C20H27NO4S
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CSC3=C2CCC3)O)OC
InChI
InChI=1S/C20H27NO4S/c1-23-17-7-6-14(10-18(17)24-2)8-9-21-11-15(22)12-25-19-13-26-20-5-3-4-16(19)20/h6-7,10,13,15,21-22H,3-5,8-9,11-12H2,1-2H3
InChIKey
BIVDQKSAGWGEFN-UHFFFAOYSA-N
Compound name
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-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

377.16608 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17336 189.8
[M+Na]+ 400.15530 197.7
[M+NH4]+ 395.19990 197.0
[M+K]+ 416.12924 193.2
[M-H]- 376.15880 192.6
[M+Na-2H]- 398.14075 192.6
[M]+ 377.16553 191.9
[M]- 377.16663 191.9
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.