CID 3076491

131448-15-2

Structural Information

Molecular Formula
C23H28N4O4
SMILES
CCN(CC)CCN1C2=NC(=CC(=C2C(=O)N(C1=O)C3=CC=CC=C3)C(=O)OCC)C
InChI
InChI=1S/C23H28N4O4/c1-5-25(6-2)13-14-26-20-19(18(15-16(4)24-20)22(29)31-7-3)21(28)27(23(26)30)17-11-9-8-10-12-17/h8-12,15H,5-7,13-14H2,1-4H3
InChIKey
UQGUVXCLFJIWTD-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(diethylamino)ethyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.21106 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21834 204.8
[M+Na]+ 447.20028 213.3
[M-H]- 423.20378 210.1
[M+NH4]+ 442.24488 212.3
[M+K]+ 463.17422 208.8
[M+H-H2O]+ 407.20832 193.0
[M+HCOO]- 469.20926 223.2
[M+CH3COO]- 483.22491 236.4
[M+Na-2H]- 445.18573 205.8
[M]+ 424.21051 212.7
[M]- 424.21161 212.7
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.