CID 2736219

387350-58-5

Structural Information

Molecular Formula
C13H12N2O5
SMILES
COC1=CC(=NC(=N1)OC2=CC=CC(=C2)C(=O)O)OC
InChI
InChI=1S/C13H12N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-5-3-4-8(6-9)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKey
OOPDBWHZCPMFHO-UHFFFAOYSA-N
Compound name
3-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

276.07462 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 158.5
[M+Na]+ 299.06384 167.3
[M-H]- 275.06734 161.9
[M+NH4]+ 294.10844 171.0
[M+K]+ 315.03778 165.3
[M+H-H2O]+ 259.07188 149.4
[M+HCOO]- 321.07282 179.2
[M+CH3COO]- 335.08847 195.9
[M+Na-2H]- 297.04929 163.6
[M]+ 276.07407 163.3
[M]- 276.07517 163.3
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

patents stripe