CID 3076488

Brn 3570743

Structural Information

Molecular Formula
C20H19N3O4
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CC=C
InChI
InChI=1S/C20H19N3O4/c1-4-11-22-17-16(15(12-13(3)21-17)19(25)27-5-2)18(24)23(20(22)26)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3
InChIKey
ONGXGLWMPLMVKG-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-prop-2-enylpyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 186.8
[M+Na]+ 388.12676 197.8
[M-H]- 364.13026 191.2
[M+NH4]+ 383.17136 196.4
[M+K]+ 404.10070 191.8
[M+H-H2O]+ 348.13480 176.0
[M+HCOO]- 410.13574 204.9
[M+CH3COO]- 424.15139 218.7
[M+Na-2H]- 386.11221 189.3
[M]+ 365.13699 192.5
[M]- 365.13809 192.5
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

No patent data available for this compound.