CID 3058984

Brn 5161669

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCCC3
InChI
InChI=1S/C20H29N3O5/c1-13(23-9-6-5-7-10-23)12-28-18-15(22-20(24)21-2)16(25-3)14-8-11-27-17(14)19(18)26-4/h8,11,13H,5-7,9-10,12H2,1-4H3,(H2,21,22,24)
InChIKey
WUNIXXJNOAOKLG-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylpropoxy)-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 193.3
[M+Na]+ 414.19994 197.3
[M-H]- 390.20344 199.8
[M+NH4]+ 409.24454 204.1
[M+K]+ 430.17388 196.6
[M+H-H2O]+ 374.20798 184.2
[M+HCOO]- 436.20892 212.1
[M+CH3COO]- 450.22457 226.3
[M+Na-2H]- 412.18539 193.8
[M]+ 391.21017 197.5
[M]- 391.21127 197.5
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.