CID 53415

5-benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, cyclohexyl ester, oxalate

Structural Information

Molecular Formula
C24H34N2O6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCC3)NC(=O)OC4CCCCC4
InChI
InChI=1S/C24H34N2O6/c1-28-20-18-11-15-30-21(18)23(29-2)22(31-16-14-26-12-7-4-8-13-26)19(20)25-24(27)32-17-9-5-3-6-10-17/h11,15,17H,3-10,12-14,16H2,1-2H3,(H,25,27)
InChIKey
JPMDTGOFHDMILE-UHFFFAOYSA-N
Compound name
cyclohexyl 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

446.2417 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24898 205.4
[M+Na]+ 469.23092 206.7
[M-H]- 445.23442 213.4
[M+NH4]+ 464.27552 213.2
[M+K]+ 485.20486 205.4
[M+H-H2O]+ 429.23896 194.9
[M+HCOO]- 491.23990 219.8
[M+CH3COO]- 505.25555 231.3
[M+Na-2H]- 467.21637 203.8
[M]+ 446.24115 206.5
[M]- 446.24225 206.5
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.