CID 217949

39930-51-3

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN1C=CC2=C1N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C9H11N3O2/c1-10-5-4-6-7(10)11(2)9(14)12(3)8(6)13/h4-5H,1-3H3
InChIKey
JPHOYQBYTMQUAF-UHFFFAOYSA-N
Compound name
1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

193.08513 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 137.0
[M+Na]+ 216.074348 152.0
[M-H]- 192.077854 139.7
[M+NH4]+ 211.118953 156.8
[M+K]+ 232.048288 148.6
[M+H-H2O]+ 176.082390 130.4
[M+HCOO]- 238.083331 160.5
[M+CH3COO]- 252.098981 185.1
[M+Na-2H]- 214.059796 143.0
[M]+ 193.08458142 142.9
[M]- 193.08567858 142.9
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