CID 17296683

2-[4-(1-benzofuran-2-amido)phenyl]acetic acid

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C17H13NO4/c19-16(20)9-11-5-7-13(8-6-11)18-17(21)15-10-12-3-1-2-4-14(12)22-15/h1-8,10H,9H2,(H,18,21)(H,19,20)
InChIKey
DHAXIWDRNDXVNO-UHFFFAOYSA-N
Compound name
2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.4
[M+Na]+ 318.073688 173.2
[M-H]- 294.077194 173.1
[M+NH4]+ 313.118293 180.9
[M+K]+ 334.047628 170.4
[M+H-H2O]+ 278.081730 158.3
[M+HCOO]- 340.082671 188.5
[M+CH3COO]- 354.098321 201.1
[M+Na-2H]- 316.059136 170.4
[M]+ 295.08392142 168.4
[M]- 295.08501858 168.4
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.