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]+ 366.144816 186.8
[M+Na]+ 388.126758 197.8
[M-H]- 364.130264 191.2
[M+NH4]+ 383.171363 196.4
[M+K]+ 404.100698 191.8
[M+H-H2O]+ 348.134800 176.0
[M+HCOO]- 410.135741 204.9
[M+CH3COO]- 424.151391 218.7
[M+Na-2H]- 386.112206 189.3
[M]+ 365.13699142 192.5
[M]- 365.13808858 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.