CID 11819216

7h-pyrrolo[2,3-d]pyrimidine-2,4-diol

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=CNC2=C1C(=O)NC(=O)N2
InChI
InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChIKey
HASUWNAFLUMMFI-UHFFFAOYSA-N
Compound name
1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

2182
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

literature stripe

Patent stripe

patents stripe