CID 678887

Methyl 2-[(1-benzofuran-2-ylcarbonyl)amino]benzoate

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H13NO4/c1-21-17(20)12-7-3-4-8-13(12)18-16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,18,19)
InChIKey
OMLKIKNLOHRWFC-UHFFFAOYSA-N
Compound name
methyl 2-(1-benzofuran-2-carbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.08447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.6
[M+Na]+ 318.073688 174.0
[M-H]- 294.077194 174.8
[M+NH4]+ 313.118293 181.9
[M+K]+ 334.047628 172.0
[M+H-H2O]+ 278.081730 158.3
[M+HCOO]- 340.082671 190.3
[M+CH3COO]- 354.098321 202.8
[M+Na-2H]- 316.059136 171.0
[M]+ 295.08392142 170.3
[M]- 295.08501858 170.3
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.