CID 57424752

1228079-74-0

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1CNC(=O)C2=CN=C(N=C21)N
InChI
InChI=1S/C7H8N4O/c8-7-10-3-4-5(11-7)1-2-9-6(4)12/h3H,1-2H2,(H,9,12)(H2,8,10,11)
InChIKey
CZOQBGHFZWUWPV-UHFFFAOYSA-N
Compound name
2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

164.06981 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 132.8
[M+Na]+ 187.05903 144.8
[M+NH4]+ 182.10363 140.1
[M+K]+ 203.03297 139.6
[M-H]- 163.06253 133.4
[M+Na-2H]- 185.04448 138.0
[M]+ 164.06926 134.3
[M]- 164.07036 134.3
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