CID 3058992

75902-76-0

Structural Information

Molecular Formula
C18H25N3O4
SMILES
CNC(=O)NC1=C(C=C2C(=C1OC)C=CO2)OCCN3CCCCC3
InChI
InChI=1S/C18H25N3O4/c1-19-18(22)20-16-15(25-11-9-21-7-4-3-5-8-21)12-14-13(6-10-24-14)17(16)23-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H2,19,20,22)
InChIKey
RDXJXBXQSILRIE-UHFFFAOYSA-N
Compound name
1-[4-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

347.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19178 180.6
[M+Na]+ 370.17372 185.2
[M-H]- 346.17722 187.0
[M+NH4]+ 365.21832 193.1
[M+K]+ 386.14766 183.5
[M+H-H2O]+ 330.18176 171.5
[M+HCOO]- 392.18270 201.0
[M+CH3COO]- 406.19835 215.8
[M+Na-2H]- 368.15917 183.7
[M]+ 347.18395 182.8
[M]- 347.18505 182.8
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.