CID 184185

2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

Structural Information

Molecular Formula
C13H12N2O5
SMILES
COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)O)OC
InChI
InChI=1S/C13H12N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-6-4-3-5-8(9)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKey
KPJNHFDQZKAJKW-UHFFFAOYSA-N
Compound name
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

127
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

literature stripe

Patent stripe

patents stripe