CID 47862

N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)acetamide hydrochloride

Structural Information

Molecular Formula
C19H26N2O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C19H26N2O5/c1-13(22)20-15-16(23-2)14-7-11-25-17(14)19(24-3)18(15)26-12-10-21-8-5-4-6-9-21/h7,11H,4-6,8-10,12H2,1-3H3,(H,20,22)
InChIKey
NSCLDYGJWOQKCP-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

362.18417 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19145 185.0
[M+Na]+ 385.17339 190.8
[M-H]- 361.17689 191.6
[M+NH4]+ 380.21799 197.4
[M+K]+ 401.14733 189.5
[M+H-H2O]+ 345.18143 176.3
[M+HCOO]- 407.18237 204.2
[M+CH3COO]- 421.19802 217.6
[M+Na-2H]- 383.15884 186.4
[M]+ 362.18362 190.2
[M]- 362.18472 190.2
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

patents stripe