CID 53406

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

Structural Information

Molecular Formula
C21H30N2O5
SMILES
CC(C)C(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C21H30N2O5/c1-14(2)21(24)22-16-17(25-3)15-8-12-27-18(15)20(26-4)19(16)28-13-11-23-9-6-5-7-10-23/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,22,24)
InChIKey
ZESIFAUXWINWFN-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.21548 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22276 194.6
[M+Na]+ 413.20470 199.1
[M-H]- 389.20820 200.9
[M+NH4]+ 408.24930 205.7
[M+K]+ 429.17864 198.0
[M+H-H2O]+ 373.21274 185.7
[M+HCOO]- 435.21368 212.0
[M+CH3COO]- 449.22933 224.5
[M+Na-2H]- 411.19015 193.8
[M]+ 390.21493 199.8
[M]- 390.21603 199.8
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.