CID 3066091

109493-40-5

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CCCCN1C2=NC(=C(C=C2C(=O)N(C1=O)C3=CC=CC=C3)C(=O)N4CCCC4)C
InChI
InChI=1S/C23H26N4O3/c1-3-4-14-26-20-19(22(29)27(23(26)30)17-10-6-5-7-11-17)15-18(16(2)24-20)21(28)25-12-8-9-13-25/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3
InChIKey
GNFJKBDSVOOPPL-UHFFFAOYSA-N
Compound name
1-butyl-7-methyl-3-phenyl-6-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.207776 201.4
[M+Na]+ 429.189718 209.8
[M-H]- 405.193224 207.0
[M+NH4]+ 424.234323 209.2
[M+K]+ 445.163658 202.8
[M+H-H2O]+ 389.197760 189.3
[M+HCOO]- 451.198701 215.9
[M+CH3COO]- 465.214351 209.6
[M+Na-2H]- 427.175166 199.3
[M]+ 406.19995142 203.0
[M]- 406.20104858 203.0
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.