CID 3076505

Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 1,4-dihydro-2-((2-(diethylamino)ethyl)thio)-7-methyl-4-oxo-1-phenyl-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C23H28N4O3S
SMILES
CCN(CC)CCSC1=NC(=O)C2=CC(=C(N=C2N1C3=CC=CC=C3)C)C(=O)OCC
InChI
InChI=1S/C23H28N4O3S/c1-5-26(6-2)13-14-31-23-25-21(28)19-15-18(22(29)30-7-3)16(4)24-20(19)27(23)17-11-9-8-10-12-17/h8-12,15H,5-7,13-14H2,1-4H3
InChIKey
WPRUPBSDJGRKAK-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(diethylamino)ethylsulfanyl]-7-methyl-4-oxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19548 206.4
[M+Na]+ 463.17742 220.2
[M+NH4]+ 458.22202 211.9
[M+K]+ 479.15136 210.7
[M-H]- 439.18092 209.7
[M+Na-2H]- 461.16287 212.3
[M]+ 440.18765 209.8
[M]- 440.18875 209.8
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.