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]+ 349.175796 179.4
[M+Na]+ 371.157738 185.9
[M-H]- 347.161244 186.1
[M+NH4]+ 366.202343 192.4
[M+K]+ 387.131678 184.2
[M+H-H2O]+ 331.165780 170.7
[M+HCOO]- 393.166721 200.0
[M+CH3COO]- 407.182371 214.4
[M+Na-2H]- 369.143186 182.6
[M]+ 348.16797142 185.0
[M]- 348.16906858 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.