CID 53419

N-(4,7-dimethoxy-6-(2-(ethylamino)ethoxy)-5-benzofuranyl)acetamide oxalate hydrate

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCNCCOC1=C(C2=C(C=CO2)C(=C1NC(=O)C)OC)OC
InChI
InChI=1S/C16H22N2O5/c1-5-17-7-9-23-15-12(18-10(2)19)13(20-3)11-6-8-22-14(11)16(15)21-4/h6,8,17H,5,7,9H2,1-4H3,(H,18,19)
InChIKey
PSWRWELWOWMTPF-UHFFFAOYSA-N
Compound name
N-[6-[2-(ethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.15286 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 174.1
[M+Na]+ 345.142078 182.1
[M-H]- 321.145584 180.0
[M+NH4]+ 340.186683 189.9
[M+K]+ 361.116018 181.5
[M+H-H2O]+ 305.150120 166.9
[M+HCOO]- 367.151061 199.5
[M+CH3COO]- 381.166711 214.2
[M+Na-2H]- 343.127526 178.2
[M]+ 322.15231142 183.9
[M]- 322.15340858 183.9
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.