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 183.6
[M+Na]+ 386.16862 188.8
[M-H]- 362.17212 189.9
[M+NH4]+ 381.21322 195.3
[M+K]+ 402.14256 187.5
[M+H-H2O]+ 346.17666 174.7
[M+HCOO]- 408.17760 203.5
[M+CH3COO]- 422.19325 219.6
[M+Na-2H]- 384.15407 185.3
[M]+ 363.17885 186.8
[M]- 363.17995 186.8
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.