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]+ 296.09175 165.6
[M+Na]+ 318.07369 174.0
[M-H]- 294.07719 174.8
[M+NH4]+ 313.11829 181.9
[M+K]+ 334.04763 172.0
[M+H-H2O]+ 278.08173 158.3
[M+HCOO]- 340.08267 190.3
[M+CH3COO]- 354.09832 202.8
[M+Na-2H]- 316.05914 171.0
[M]+ 295.08392 170.3
[M]- 295.08502 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.