CID 47884

Acetamide, n-(4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN(C)C)OC)OC=C2)OC
InChI
InChI=1S/C16H22N2O5/c1-10(19)17-12-13(20-4)11-6-8-22-14(11)16(21-5)15(12)23-9-7-18(2)3/h6,8H,7,9H2,1-5H3,(H,17,19)
InChIKey
PYLXYGQHQNVXLI-UHFFFAOYSA-N
Compound name
N-[6-[2-(dimethylamino)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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 174.8
[M+Na]+ 345.142078 182.9
[M-H]- 321.145584 182.2
[M+NH4]+ 340.186683 191.2
[M+K]+ 361.116018 183.8
[M+H-H2O]+ 305.150120 167.6
[M+HCOO]- 367.151061 200.7
[M+CH3COO]- 381.166711 217.5
[M+Na-2H]- 343.127526 178.1
[M]+ 322.15231142 185.8
[M]- 322.15340858 185.8
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.