CID 135434752

2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H11N5O4
SMILES
CC1=CC(=NC2=C(C=NN12)C3=NC(=C(C(=O)N3)O)C(=O)O)C
InChI
InChI=1S/C13H11N5O4/c1-5-3-6(2)18-11(15-5)7(4-14-18)10-16-8(13(21)22)9(19)12(20)17-10/h3-4,19H,1-2H3,(H,21,22)(H,16,17,20)
InChIKey
HLECFFVLTZHVRF-UHFFFAOYSA-N
Compound name
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.08112 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08840 169.0
[M+Na]+ 324.07034 182.0
[M-H]- 300.07384 168.8
[M+NH4]+ 319.11494 178.6
[M+K]+ 340.04428 175.7
[M+H-H2O]+ 284.07838 160.3
[M+HCOO]- 346.07932 184.2
[M+CH3COO]- 360.09497 179.4
[M+Na-2H]- 322.05579 171.7
[M]+ 301.08057 171.8
[M]- 301.08167 171.8
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.