CID 83669847

1520452-96-3

Structural Information

Molecular Formula
C6H3Cl2N3O
SMILES
C1C2=C(NC1=O)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H3Cl2N3O/c7-4-2-1-3(12)9-5(2)11-6(8)10-4/h1H2,(H,9,10,11,12)
InChIKey
IGMUFDAQGZNNIM-UHFFFAOYSA-N
Compound name
2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

202.96532 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.97260 136.7
[M+Na]+ 225.95454 149.2
[M-H]- 201.95804 135.7
[M+NH4]+ 220.99914 155.5
[M+K]+ 241.92848 143.4
[M+H-H2O]+ 185.96258 130.5
[M+HCOO]- 247.96352 146.3
[M+CH3COO]- 261.97917 149.3
[M+Na-2H]- 223.93999 141.8
[M]+ 202.96477 137.6
[M]- 202.96587 137.6
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