CID 6451973

43200-82-4

Structural Information

Molecular Formula
C11H5ClN4O2
SMILES
C1=CC(=NC=C1Cl)N2C(=O)C3=NC=CN=C3C2=O
InChI
InChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H
InChIKey
FFXYIKCDZBXDNR-UHFFFAOYSA-N
Compound name
6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.0101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01738 154.4
[M+Na]+ 282.99932 167.3
[M-H]- 259.00282 157.5
[M+NH4]+ 278.04392 169.4
[M+K]+ 298.97326 161.4
[M+H-H2O]+ 243.00736 145.0
[M+HCOO]- 305.00830 169.4
[M+CH3COO]- 319.02395 166.8
[M+Na-2H]- 280.98477 159.4
[M]+ 260.00955 157.3
[M]- 260.01065 157.3
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