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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	302.088396	169.0
[M+Na]+	324.070338	182.0
[M-H]-	300.073844	168.8
[M+NH4]+	319.114943	178.6
[M+K]+	340.044278	175.7
[M+H-H2O]+	284.078380	160.3
[M+HCOO]-	346.079321	184.2
[M+CH3COO]-	360.094971	179.4
[M+Na-2H]-	322.055786	171.7
[M]+	301.08057142	171.8
[M]-	301.08166858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.