CID 53402

Formamide, n-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride

Structural Information

Molecular Formula
C18H24N2O5
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC=O
InChI
InChI=1S/C18H24N2O5/c1-22-15-13-6-10-24-16(13)18(23-2)17(14(15)19-12-21)25-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,19,21)
InChIKey
OKXPTZOUCPLYOR-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 179.4
[M+Na]+ 371.15774 185.9
[M-H]- 347.16124 186.1
[M+NH4]+ 366.20234 192.4
[M+K]+ 387.13168 184.2
[M+H-H2O]+ 331.16578 170.7
[M+HCOO]- 393.16672 200.0
[M+CH3COO]- 407.18237 214.4
[M+Na-2H]- 369.14319 182.6
[M]+ 348.16797 185.0
[M]- 348.16907 185.0
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.