CID 3058983

Urea, 1-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-1,3-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C20H29N3O5
SMILES
CNC(=O)N(C)C1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C20H29N3O5/c1-21-20(24)22(2)15-16(25-3)14-8-12-27-17(14)19(26-4)18(15)28-13-11-23-9-6-5-7-10-23/h8,12H,5-7,9-11,13H2,1-4H3,(H,21,24)
InChIKey
BCOYFLSKLGSBKN-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.21072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21800 193.4
[M+Na]+ 414.19994 197.9
[M-H]- 390.20344 201.3
[M+NH4]+ 409.24454 204.9
[M+K]+ 430.17388 197.9
[M+H-H2O]+ 374.20798 184.1
[M+HCOO]- 436.20892 213.7
[M+CH3COO]- 450.22457 228.5
[M+Na-2H]- 412.18539 194.2
[M]+ 391.21017 199.4
[M]- 391.21127 199.4
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.