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 207.4
[M+Na]+ 463.17742 214.9
[M-H]- 439.18092 212.1
[M+NH4]+ 458.22202 214.8
[M+K]+ 479.15136 209.3
[M+H-H2O]+ 423.18546 196.2
[M+HCOO]- 485.18640 220.6
[M+CH3COO]- 499.20205 236.8
[M+Na-2H]- 461.16287 207.2
[M]+ 440.18765 216.3
[M]- 440.18875 216.3
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.