CID 592097

1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=CNC2=C1NC(=O)NC2=O
InChI
InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
InChIKey
BSRITDQWGPSXPQ-UHFFFAOYSA-N
Compound name
1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

151.03818 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 125.9
[M+Na]+ 174.02740 138.1
[M-H]- 150.03090 123.8
[M+NH4]+ 169.07200 144.2
[M+K]+ 190.00134 132.8
[M+H-H2O]+ 134.03544 119.6
[M+HCOO]- 196.03638 145.8
[M+CH3COO]- 210.05203 139.2
[M+Na-2H]- 172.01285 134.2
[M]+ 151.03763 124.0
[M]- 151.03873 124.0
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