CID 3058967

Brn 5154179

Structural Information

Molecular Formula
C18H25N3O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)N
InChI
InChI=1S/C18H25N3O5/c1-23-14-12-6-10-25-15(12)17(24-2)16(13(14)20-18(19)22)26-11-9-21-7-4-3-5-8-21/h6,10H,3-5,7-9,11H2,1-2H3,(H3,19,20,22)
InChIKey
WGVNQYROYYMDFQ-UHFFFAOYSA-N
Compound name
[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.1794 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18668 185.5
[M+Na]+ 386.16862 194.7
[M+NH4]+ 381.21322 190.9
[M+K]+ 402.14256 192.1
[M-H]- 362.17212 189.4
[M+Na-2H]- 384.15407 188.2
[M]+ 363.17885 187.5
[M]- 363.17995 187.5
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.