CID 510739

Bdbm50174454

Structural Information

Molecular Formula
C20H15NO6
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)COC3=CC=CC(=C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C20H15NO6/c22-17(11-18(23)20(24)25)14-7-4-8-16(9-14)26-12-15-10-19(27-21-15)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,24,25)
InChIKey
YACHIXPLTZSGJF-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-[3-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.08994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09722 182.4
[M+Na]+ 388.07916 187.9
[M-H]- 364.08266 190.4
[M+NH4]+ 383.12376 191.8
[M+K]+ 404.05310 186.1
[M+H-H2O]+ 348.08720 173.1
[M+HCOO]- 410.08814 201.7
[M+CH3COO]- 424.10379 211.4
[M+Na-2H]- 386.06461 182.7
[M]+ 365.08939 186.2
[M]- 365.09049 186.2
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.