CID 3058987

Brn 5161712

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CCOC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)NC
InChI
InChI=1S/C20H29N3O5/c1-4-26-16-14-8-12-27-17(14)19(25-3)18(15(16)22-20(24)21-2)28-13-11-23-9-6-5-7-10-23/h8,12H,4-7,9-11,13H2,1-3H3,(H2,21,22,24)
InChIKey
ZVUOTSRVXROQMX-UHFFFAOYSA-N
Compound name
1-[4-ethoxy-7-methoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 194.5
[M+Na]+ 414.19994 203.5
[M+NH4]+ 409.24454 199.6
[M+K]+ 430.17388 200.2
[M-H]- 390.20344 198.4
[M+Na-2H]- 412.18539 197.0
[M]+ 391.21017 196.4
[M]- 391.21127 196.4
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.