CID 53410

75883-47-5

Structural Information

Molecular Formula
C19H26N2O6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)OC
InChI
InChI=1S/C19H26N2O6/c1-23-15-13-7-11-26-16(13)18(24-2)17(14(15)20-19(22)25-3)27-12-10-21-8-5-4-6-9-21/h7,11H,4-6,8-10,12H2,1-3H3,(H,20,22)
InChIKey
NEZBYBWSMVTCGB-UHFFFAOYSA-N
Compound name
methyl N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.17908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18636 188.7
[M+Na]+ 401.16830 198.8
[M+NH4]+ 396.21290 194.0
[M+K]+ 417.14224 195.8
[M-H]- 377.17180 191.9
[M+Na-2H]- 399.15375 191.4
[M]+ 378.17853 190.7
[M]- 378.17963 190.7
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.