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 187.3
[M+Na]+ 401.16830 192.8
[M-H]- 377.17180 193.9
[M+NH4]+ 396.21290 199.0
[M+K]+ 417.14224 192.3
[M+H-H2O]+ 361.17634 178.4
[M+HCOO]- 423.17728 206.6
[M+CH3COO]- 437.19293 219.2
[M+Na-2H]- 399.15375 188.9
[M]+ 378.17853 193.8
[M]- 378.17963 193.8
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.