CID 2763296

335654-08-5

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1C2=CN=C(N=C2NC1=O)Cl
InChI
InChI=1S/C6H4ClN3O/c7-6-8-2-3-1-4(11)9-5(3)10-6/h2H,1H2,(H,8,9,10,11)
InChIKey
HJWLJBJSDPPAFY-UHFFFAOYSA-N
Compound name
2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

169.00429 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 130.7
[M+Na]+ 191.99351 142.1
[M-H]- 167.99701 130.1
[M+NH4]+ 187.03811 150.3
[M+K]+ 207.96745 137.5
[M+H-H2O]+ 152.00155 124.0
[M+HCOO]- 214.00249 145.6
[M+CH3COO]- 228.01814 143.9
[M+Na-2H]- 189.97896 137.3
[M]+ 169.00374 130.5
[M]- 169.00484 130.5
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