CID 3059538

Brn 5618137

Structural Information

Molecular Formula
C17H13NO6
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O
InChI
InChI=1S/C17H13NO6/c1-23-12-5-2-10(3-6-12)16(21)11-4-7-13-14(8-11)24-17(22)18(13)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKey
UFIUFDKDZGNDBH-UHFFFAOYSA-N
Compound name
2-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07428 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.081556 169.9
[M+Na]+ 350.063498 180.0
[M-H]- 326.067004 177.0
[M+NH4]+ 345.108103 183.2
[M+K]+ 366.037438 178.0
[M+H-H2O]+ 310.071540 162.2
[M+HCOO]- 372.072481 191.0
[M+CH3COO]- 386.088131 205.7
[M+Na-2H]- 348.048946 173.1
[M]+ 327.07373142 177.0
[M]- 327.07482858 177.0
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.