CID 53412

75883-48-6

Structural Information

Molecular Formula
C20H28N2O6
SMILES
CCOC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H28N2O6/c1-4-26-20(23)21-15-16(24-2)14-8-12-27-17(14)19(25-3)18(15)28-13-11-22-9-6-5-7-10-22/h8,12H,4-7,9-11,13H2,1-3H3,(H,21,23)
InChIKey
GBUOLPPEWOVFEN-UHFFFAOYSA-N
Compound name
ethyl N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.19473 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20201 191.8
[M+Na]+ 415.18395 196.9
[M-H]- 391.18745 198.3
[M+NH4]+ 410.22855 202.9
[M+K]+ 431.15789 196.2
[M+H-H2O]+ 375.19199 182.8
[M+HCOO]- 437.19293 210.8
[M+CH3COO]- 451.20858 222.2
[M+Na-2H]- 413.16940 193.0
[M]+ 392.19418 198.7
[M]- 392.19528 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.