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]+ 194.09241 137.0
[M+Na]+ 216.07435 152.0
[M-H]- 192.07785 139.7
[M+NH4]+ 211.11895 156.8
[M+K]+ 232.04829 148.6
[M+H-H2O]+ 176.08239 130.4
[M+HCOO]- 238.08333 160.5
[M+CH3COO]- 252.09898 185.1
[M+Na-2H]- 214.05980 143.0
[M]+ 193.08458 142.9
[M]- 193.08568 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