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]+ 416.16048 202.4
[M+Na]+ 438.14242 212.1
[M-H]- 414.14592 209.5
[M+NH4]+ 433.18702 209.1
[M+K]+ 454.11636 205.5
[M+H-H2O]+ 398.15046 189.4
[M+HCOO]- 460.15140 219.8
[M+CH3COO]- 474.16705 211.3
[M+Na-2H]- 436.12787 204.9
[M]+ 415.15265 206.9
[M]- 415.15375 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.