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]+ 364.186676 183.6
[M+Na]+ 386.168618 188.8
[M-H]- 362.172124 189.9
[M+NH4]+ 381.213223 195.3
[M+K]+ 402.142558 187.5
[M+H-H2O]+ 346.176660 174.7
[M+HCOO]- 408.177601 203.5
[M+CH3COO]- 422.193251 219.6
[M+Na-2H]- 384.154066 185.3
[M]+ 363.17885142 186.8
[M]- 363.17994858 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.