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
2
Annotation Hits

0
References

131
Patents

151.03818 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.045456 125.9
[M+Na]+ 174.027398 138.1
[M-H]- 150.030904 123.8
[M+NH4]+ 169.072003 144.2
[M+K]+ 190.001338 132.8
[M+H-H2O]+ 134.035440 119.6
[M+HCOO]- 196.036381 145.8
[M+CH3COO]- 210.052031 139.2
[M+Na-2H]- 172.012846 134.2
[M]+ 151.03763142 124.0
[M]- 151.03872858 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