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

8
Patents

193.08513 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.1
[M+Na]+ 216.07435 154.2
[M+NH4]+ 211.11895 146.1
[M+K]+ 232.04829 150.2
[M-H]- 192.07785 139.1
[M+Na-2H]- 214.05980 144.4
[M]+ 193.08458 141.1
[M]- 193.08568 141.1
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