CID 3086960

Pyrido(2,3-d)pyrimidine-2,4(1h,3h)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)-

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CC(C)NC1=C2C(=NC=C1)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C12H16N4O2/c1-7(2)14-8-5-6-13-10-9(8)11(17)16(4)12(18)15(10)3/h5-7H,1-4H3,(H,13,14)
InChIKey
LIXZZDLGCZFRFO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.12732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 156.2
[M+Na]+ 271.116538 167.7
[M-H]- 247.120044 158.0
[M+NH4]+ 266.161143 171.2
[M+K]+ 287.090478 163.9
[M+H-H2O]+ 231.124580 148.0
[M+HCOO]- 293.125521 176.3
[M+CH3COO]- 307.141171 200.5
[M+Na-2H]- 269.101986 161.6
[M]+ 248.12677142 159.6
[M]- 248.12786858 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