CID 6451972

6-(5-chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5h-pyrrolo[3,4-b]pyrazin-5-one

Structural Information

Molecular Formula
C11H7ClN4O2
SMILES
C1=CC(=NC=C1Cl)N2C(C3=NC=CN=C3C2=O)O
InChI
InChI=1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
InChIKey
FUUXOEKDNNWZTR-UHFFFAOYSA-N
Compound name
6-(5-chloropyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

262.02576 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03304 155.4
[M+Na]+ 285.01498 167.6
[M-H]- 261.01848 157.2
[M+NH4]+ 280.05958 169.8
[M+K]+ 300.98892 161.5
[M+H-H2O]+ 245.02302 146.4
[M+HCOO]- 307.02396 168.8
[M+CH3COO]- 321.03961 167.1
[M+Na-2H]- 283.00043 160.1
[M]+ 262.02521 157.3
[M]- 262.02631 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