CID 3079855

Brn 3568246

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C3=CC=CC=C3)SCC=C
InChI
InChI=1S/C20H19N3O3S/c1-4-11-27-20-22-17-16(15(12-13(3)21-17)19(25)26-5-2)18(24)23(20)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3
InChIKey
HEFIBZLYIRPTMW-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-4-oxo-3-phenyl-2-prop-2-enylsulfanylpyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11472 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 190.6
[M+Na]+ 404.10394 206.2
[M+NH4]+ 399.14854 196.6
[M+K]+ 420.07788 196.2
[M-H]- 380.10744 193.2
[M+Na-2H]- 402.08939 196.9
[M]+ 381.11417 194.0
[M]- 381.11527 194.0
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.