CID 3058986

75883-75-9

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CNC(=O)NC1=C(C=C2C(=C1)C=CO2)OCCN3CCCCC3
InChI
InChI=1S/C17H23N3O3/c1-18-17(21)19-14-11-13-5-9-22-15(13)12-16(14)23-10-8-20-6-3-2-4-7-20/h5,9,11-12H,2-4,6-8,10H2,1H3,(H2,18,19,21)
InChIKey
RWEMXXWZEBYASG-UHFFFAOYSA-N
Compound name
1-methyl-3-[6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

317.17395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 172.8
[M+Na]+ 340.16317 177.3
[M-H]- 316.16667 179.1
[M+NH4]+ 335.20777 186.5
[M+K]+ 356.13711 175.0
[M+H-H2O]+ 300.17121 163.9
[M+HCOO]- 362.17215 193.5
[M+CH3COO]- 376.18780 209.3
[M+Na-2H]- 338.14862 177.1
[M]+ 317.17340 173.0
[M]- 317.17450 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.