CID 3086958

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

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CN1C2=NC=CC(=C2C(=O)N(C1=O)C)NCC=C
InChI
InChI=1S/C12H14N4O2/c1-4-6-13-8-5-7-14-10-9(8)11(17)16(3)12(18)15(10)2/h4-5,7H,1,6H2,2-3H3,(H,13,14)
InChIKey
SQQVHOKQCFLLCG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

246.11168 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 155.1
[M+Na]+ 269.10090 167.2
[M-H]- 245.10440 156.8
[M+NH4]+ 264.14550 170.1
[M+K]+ 285.07484 162.3
[M+H-H2O]+ 229.10894 146.7
[M+HCOO]- 291.10988 176.4
[M+CH3COO]- 305.12553 198.7
[M+Na-2H]- 267.08635 161.6
[M]+ 246.11113 158.4
[M]- 246.11223 158.4
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