CID 2736213

4-(4,6-dimethoxypyrimidin-2-yl)benzoic acid

Structural Information

Molecular Formula
C13H12N2O4
SMILES
COC1=CC(=NC(=N1)C2=CC=C(C=C2)C(=O)O)OC
InChI
InChI=1S/C13H12N2O4/c1-18-10-7-11(19-2)15-12(14-10)8-3-5-9(6-4-8)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKey
ARKCVXXCSBFGDT-UHFFFAOYSA-N
Compound name
4-(4,6-dimethoxypyrimidin-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

260.0797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 156.0
[M+Na]+ 283.06892 165.0
[M-H]- 259.07242 159.4
[M+NH4]+ 278.11352 169.3
[M+K]+ 299.04286 162.3
[M+H-H2O]+ 243.07696 147.2
[M+HCOO]- 305.07790 176.5
[M+CH3COO]- 319.09355 193.7
[M+Na-2H]- 281.05437 160.9
[M]+ 260.07915 159.4
[M]- 260.08025 159.4
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