CID 489109

Chembl53246

Structural Information

Molecular Formula
C20H29NO4
SMILES
CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCCNC(C)(C)C)C
InChI
InChI=1S/C20H29NO4/c1-6-23-19(22)18-14(2)17-15(10-9-11-16(17)25-18)24-13-8-7-12-21-20(3,4)5/h9-11,21H,6-8,12-13H2,1-5H3
InChIKey
JBAHFSJPHFPFKG-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(tert-butylamino)butoxy]-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

347.20966 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21694 187.3
[M+Na]+ 370.19888 194.3
[M-H]- 346.20238 192.5
[M+NH4]+ 365.24348 202.5
[M+K]+ 386.17282 192.6
[M+H-H2O]+ 330.20692 180.7
[M+HCOO]- 392.20786 208.6
[M+CH3COO]- 406.22351 217.2
[M+Na-2H]- 368.18433 190.3
[M]+ 347.20911 196.8
[M]- 347.21021 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.