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]+ 296.09175 165.4
[M+Na]+ 318.07369 173.2
[M-H]- 294.07719 173.1
[M+NH4]+ 313.11829 180.9
[M+K]+ 334.04763 170.4
[M+H-H2O]+ 278.08173 158.3
[M+HCOO]- 340.08267 188.5
[M+CH3COO]- 354.09832 201.1
[M+Na-2H]- 316.05914 170.4
[M]+ 295.08392 168.4
[M]- 295.08502 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.