CID 75324

Tetramethyluric acid

Structural Information

Molecular Formula
C9H12N4O3
SMILES
CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3
InChIKey
QGDOQULISIQFHQ-UHFFFAOYSA-N
Compound name
1,3,7,9-tetramethylpurine-2,6,8-trione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

45
References

2219
Patents

224.09094 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 144.7
[M+Na]+ 247.08016 161.5
[M-H]- 223.08366 146.8
[M+NH4]+ 242.12476 162.2
[M+K]+ 263.05410 157.7
[M+H-H2O]+ 207.08820 137.8
[M+HCOO]- 269.08914 166.9
[M+CH3COO]- 283.10479 192.2
[M+Na-2H]- 245.06561 149.0
[M]+ 224.09039 152.5
[M]- 224.09149 152.5
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.