CID 3066092

109493-41-6

Structural Information

Molecular Formula
C24H28N4O3
SMILES
CCCCN1C2=NC(=C(C=C2C(=O)N(C1=O)C3=CC=CC=C3)C(=O)N4CCCCC4)C
InChI
InChI=1S/C24H28N4O3/c1-3-4-15-27-21-20(23(30)28(24(27)31)18-11-7-5-8-12-18)16-19(17(2)25-21)22(29)26-13-9-6-10-14-26/h5,7-8,11-12,16H,3-4,6,9-10,13-15H2,1-2H3
InChIKey
LRCNAYQUIAKNAJ-UHFFFAOYSA-N
Compound name
1-butyl-7-methyl-3-phenyl-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.21616 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 204.3
[M+Na]+ 443.20538 219.8
[M+NH4]+ 438.24998 209.4
[M+K]+ 459.17932 211.7
[M-H]- 419.20888 208.2
[M+Na-2H]- 441.19083 210.8
[M]+ 420.21561 207.5
[M]- 420.21671 207.5
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.