CID 1567373

Butyl 3-[(1-benzofuran-2-ylcarbonyl)amino]benzoate

Structural Information

Molecular Formula
C20H19NO4
SMILES
CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C20H19NO4/c1-2-3-11-24-20(23)15-8-6-9-16(12-15)21-19(22)18-13-14-7-4-5-10-17(14)25-18/h4-10,12-13H,2-3,11H2,1H3,(H,21,22)
InChIKey
ZTXQVKJUOIFKBH-UHFFFAOYSA-N
Compound name
butyl 3-(1-benzofuran-2-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

337.1314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 180.0
[M+Na]+ 360.12062 186.9
[M-H]- 336.12412 188.5
[M+NH4]+ 355.16522 194.4
[M+K]+ 376.09456 184.3
[M+H-H2O]+ 320.12866 171.9
[M+HCOO]- 382.12960 203.5
[M+CH3COO]- 396.14525 211.7
[M+Na-2H]- 358.10607 183.6
[M]+ 337.13085 185.6
[M]- 337.13195 185.6
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.