CID 2363691

7-amino-1-benzyl-3-ethyl-1h,2h,3h,4h,5h,8h-pyrido[2,3-d]pyrimidine-2,4,5-trione

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CCN1C(=O)C2=C(NC(=CC2=O)N)N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H16N4O3/c1-2-19-15(22)13-11(21)8-12(17)18-14(13)20(16(19)23)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,18,21)
InChIKey
CZPYMWWBKWCSGA-UHFFFAOYSA-N
Compound name
7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.12225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.129526 173.7
[M+Na]+ 335.111468 185.4
[M-H]- 311.114974 176.9
[M+NH4]+ 330.156073 184.5
[M+K]+ 351.085408 178.4
[M+H-H2O]+ 295.119510 163.8
[M+HCOO]- 357.120451 192.7
[M+CH3COO]- 371.136101 207.7
[M+Na-2H]- 333.096916 178.3
[M]+ 312.12170142 174.6
[M]- 312.12279858 174.6
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

No patent data available for this compound.