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]+ 393.202006 191.8
[M+Na]+ 415.183948 196.9
[M-H]- 391.187454 198.3
[M+NH4]+ 410.228553 202.9
[M+K]+ 431.157888 196.2
[M+H-H2O]+ 375.191990 182.8
[M+HCOO]- 437.192931 210.8
[M+CH3COO]- 451.208581 222.2
[M+Na-2H]- 413.169396 193.0
[M]+ 392.19418142 198.7
[M]- 392.19527858 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.