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

40
Patents

169.00429 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011566 130.7
[M+Na]+ 191.993508 142.1
[M-H]- 167.997014 130.1
[M+NH4]+ 187.038113 150.3
[M+K]+ 207.967448 137.5
[M+H-H2O]+ 152.001550 124.0
[M+HCOO]- 214.002491 145.6
[M+CH3COO]- 228.018141 143.9
[M+Na-2H]- 189.978956 137.3
[M]+ 169.00374142 130.5
[M]- 169.00483858 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