CID 37819020

1170023-46-7

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CNCC2=C1NC(=O)NC2=O
InChI
InChI=1S/C7H9N3O2/c11-6-4-3-8-2-1-5(4)9-7(12)10-6/h8H,1-3H2,(H2,9,10,11,12)
InChIKey
WLYDPTCCORGDKT-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.06947 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.9
[M+Na]+ 190.058688 142.8
[M-H]- 166.062194 130.4
[M+NH4]+ 185.103293 149.4
[M+K]+ 206.032628 137.5
[M+H-H2O]+ 150.066730 126.9
[M+HCOO]- 212.067671 148.3
[M+CH3COO]- 226.083321 144.9
[M+Na-2H]- 188.044136 141.4
[M]+ 167.06892142 127.3
[M]- 167.07001858 127.3
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