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]+ 168.07675 133.9
[M+Na]+ 190.05869 142.8
[M-H]- 166.06219 130.4
[M+NH4]+ 185.10329 149.4
[M+K]+ 206.03263 137.5
[M+H-H2O]+ 150.06673 126.9
[M+HCOO]- 212.06767 148.3
[M+CH3COO]- 226.08332 144.9
[M+Na-2H]- 188.04414 141.4
[M]+ 167.06892 127.3
[M]- 167.07002 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