CID 3076489

Brn 3573979

Structural Information

Molecular Formula
C24H21N3O4
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O4/c1-3-31-23(29)19-14-16(2)25-21-20(19)22(28)27(18-12-8-5-9-13-18)24(30)26(21)15-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKey
QHEGLSBAXUWAHE-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-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

415.1532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.160476 202.4
[M+Na]+ 438.142418 212.1
[M-H]- 414.145924 209.5
[M+NH4]+ 433.187023 209.1
[M+K]+ 454.116358 205.5
[M+H-H2O]+ 398.150460 189.4
[M+HCOO]- 460.151401 219.8
[M+CH3COO]- 474.167051 211.3
[M+Na-2H]- 436.127866 204.9
[M]+ 415.15265142 206.9
[M]- 415.15374858 206.9
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.