CID 3041224

53680-92-5

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CCN1C2=C(C=CN2)C(=O)N(C1=O)CC
InChI
InChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3
InChIKey
UWZMYTIVXOEQDV-UHFFFAOYSA-N
Compound name
1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 142.9
[M+Na]+ 230.08999 156.1
[M-H]- 206.09349 143.6
[M+NH4]+ 225.13459 161.0
[M+K]+ 246.06393 151.5
[M+H-H2O]+ 190.09803 135.9
[M+HCOO]- 252.09897 164.5
[M+CH3COO]- 266.11462 184.4
[M+Na-2H]- 228.07544 148.5
[M]+ 207.10022 146.9
[M]- 207.10132 146.9
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

No patent data available for this compound.