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
7
Annotation Hits

45
References

2461
Patents

224.09094 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.098216 144.7
[M+Na]+ 247.080158 161.5
[M-H]- 223.083664 146.8
[M+NH4]+ 242.124763 162.2
[M+K]+ 263.054098 157.7
[M+H-H2O]+ 207.088200 137.8
[M+HCOO]- 269.089141 166.9
[M+CH3COO]- 283.104791 192.2
[M+Na-2H]- 245.065606 149.0
[M]+ 224.09039142 152.5
[M]- 224.09148858 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

literature stripe

Patent stripe

patents stripe