CID 3086913

5-isopropylamino-1,3-dimethylpyrido(4,3-d)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CC(C)NC1=NC=CC2=C1C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C12H16N4O2/c1-7(2)14-10-9-8(5-6-13-10)15(3)12(18)16(4)11(9)17/h5-7H,1-4H3,(H,13,14)
InChIKey
JDRTZSBOSALQLW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.12732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13460 156.2
[M+Na]+ 271.11654 167.7
[M-H]- 247.12004 158.0
[M+NH4]+ 266.16114 171.2
[M+K]+ 287.09048 163.9
[M+H-H2O]+ 231.12458 148.0
[M+HCOO]- 293.12552 176.3
[M+CH3COO]- 307.14117 200.5
[M+Na-2H]- 269.10199 161.6
[M]+ 248.12677 159.6
[M]- 248.12787 159.6
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