CID 2761114

3-[(4,6-dimethoxypyrimidin-2-yl)oxy]pyridine-2-carboxylic acid monohydrate

Structural Information

Molecular Formula
C12H11N3O5
SMILES
COC1=CC(=NC(=N1)OC2=C(N=CC=C2)C(=O)O)OC
InChI
InChI=1S/C12H11N3O5/c1-18-8-6-9(19-2)15-12(14-8)20-7-4-3-5-13-10(7)11(16)17/h3-6H,1-2H3,(H,16,17)
InChIKey
XMGQULFBBFKPDQ-UHFFFAOYSA-N
Compound name
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

277.0699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07718 158.7
[M+Na]+ 300.05912 167.8
[M-H]- 276.06262 160.8
[M+NH4]+ 295.10372 169.7
[M+K]+ 316.03306 165.7
[M+H-H2O]+ 260.06716 149.0
[M+HCOO]- 322.06810 178.3
[M+CH3COO]- 336.08375 195.8
[M+Na-2H]- 298.04457 164.3
[M]+ 277.06935 163.6
[M]- 277.07045 163.6
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