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

102
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 133.8
[M+Na]+ 187.05903 142.5
[M-H]- 163.06253 132.5
[M+NH4]+ 182.10363 150.3
[M+K]+ 203.03297 138.6
[M+H-H2O]+ 147.06707 126.1
[M+HCOO]- 209.06801 151.3
[M+CH3COO]- 223.08366 145.5
[M+Na-2H]- 185.04448 141.8
[M]+ 164.06926 128.5
[M]- 164.07036 128.5
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