CID 3086912

Pyrido(4,3-d)pyrimidine-2,4(1h,3h)-dione, 1,3-dimethyl-

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN1C2=C(C=NC=C2)C(=O)N(C1=O)C
InChI
InChI=1S/C9H9N3O2/c1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14/h3-5H,1-2H3
InChIKey
GXLUIUJUEVVCKL-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 137.6
[M+Na]+ 214.05869 150.8
[M-H]- 190.06219 139.5
[M+NH4]+ 209.10329 155.1
[M+K]+ 230.03263 147.3
[M+H-H2O]+ 174.06673 130.0
[M+HCOO]- 236.06767 158.8
[M+CH3COO]- 250.08332 184.3
[M+Na-2H]- 212.04414 146.2
[M]+ 191.06892 140.9
[M]- 191.07002 140.9
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