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]+ 323.16014 174.1
[M+Na]+ 345.14208 182.1
[M-H]- 321.14558 180.0
[M+NH4]+ 340.18668 189.9
[M+K]+ 361.11602 181.5
[M+H-H2O]+ 305.15012 166.9
[M+HCOO]- 367.15106 199.5
[M+CH3COO]- 381.16671 214.2
[M+Na-2H]- 343.12753 178.2
[M]+ 322.15231 183.9
[M]- 322.15341 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.