CID 3073205

147297-03-8

Structural Information

Molecular Formula
C30H33N5O4
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C30H33N5O4/c1-3-39-29(37)25-21-22(2)31-27-26(25)28(36)35(24-13-8-5-9-14-24)30(38)34(27)16-10-15-32-17-19-33(20-18-32)23-11-6-4-7-12-23/h4-9,11-14,21H,3,10,15-20H2,1-2H3
InChIKey
DMNVXBJVUHTMDJ-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.25323 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.26051 232.0
[M+Na]+ 550.24245 248.6
[M+NH4]+ 545.28705 235.7
[M+K]+ 566.21639 239.8
[M-H]- 526.24595 237.3
[M+Na-2H]- 548.22790 239.7
[M]+ 527.25268 235.8
[M]- 527.25378 235.8
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.