CID 388431

160031-37-8

Structural Information

Molecular Formula
C29H33N7O4
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C29H33N7O4/c1-3-40-27(38)23-20-21(2)32-25-24(23)26(37)36(22-10-5-4-6-11-22)29(39)35(25)15-8-7-14-33-16-18-34(19-17-33)28-30-12-9-13-31-28/h4-6,9-13,20H,3,7-8,14-19H2,1-2H3
InChIKey
GIOYYUIAQGOYMQ-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.2594 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.26668 239.8
[M+Na]+ 566.24862 245.6
[M-H]- 542.25212 243.0
[M+NH4]+ 561.29322 234.6
[M+K]+ 582.22256 236.2
[M+H-H2O]+ 526.25666 222.3
[M+HCOO]- 588.25760 246.0
[M+CH3COO]- 602.27325 242.3
[M+Na-2H]- 564.23407 238.4
[M]+ 543.25885 240.4
[M]- 543.25995 240.4
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.