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]+ 313.12953 173.7
[M+Na]+ 335.11147 185.4
[M-H]- 311.11497 176.9
[M+NH4]+ 330.15607 184.5
[M+K]+ 351.08541 178.4
[M+H-H2O]+ 295.11951 163.8
[M+HCOO]- 357.12045 192.7
[M+CH3COO]- 371.13610 207.7
[M+Na-2H]- 333.09692 178.3
[M]+ 312.12170 174.6
[M]- 312.12280 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.