CID 206249

1,3-dimethyl-1h-pyrrolo[3,2-d]pyrimidine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=C2
InChI
InChI=1S/C8H9N3O2/c1-10-5-3-4-9-6(5)7(12)11(2)8(10)13/h3-4,9H,1-2H3
InChIKey
XLSXPKZIKMPZHK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

179.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 134.9
[M+Na]+ 202.05869 149.3
[M+NH4]+ 197.10329 141.7
[M+K]+ 218.03263 145.7
[M-H]- 178.06219 134.4
[M+Na-2H]- 200.04414 140.2
[M]+ 179.06892 136.6
[M]- 179.07002 136.6
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

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