CID 10688314

882863-80-1

Structural Information

Molecular Formula
C19H15NO5
SMILES
CC(=O)N(CC(=O)O)C1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO5/c1-12(21)20(11-16(22)23)17-14-9-5-6-10-15(14)25-19(17)18(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,22,23)
InChIKey
BEWXPDJCHMFVEL-UHFFFAOYSA-N
Compound name
2-[acetyl-(2-benzoyl-1-benzofuran-3-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10231 177.0
[M+Na]+ 360.08425 183.6
[M-H]- 336.08775 185.8
[M+NH4]+ 355.12885 190.9
[M+K]+ 376.05819 182.6
[M+H-H2O]+ 320.09229 169.3
[M+HCOO]- 382.09323 199.1
[M+CH3COO]- 396.10888 212.8
[M+Na-2H]- 358.06970 179.0
[M]+ 337.09448 181.9
[M]- 337.09558 181.9
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.