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]+ 407.20778 201.4
[M+Na]+ 429.18972 209.8
[M-H]- 405.19322 207.0
[M+NH4]+ 424.23432 209.2
[M+K]+ 445.16366 202.8
[M+H-H2O]+ 389.19776 189.3
[M+HCOO]- 451.19870 215.9
[M+CH3COO]- 465.21435 209.6
[M+Na-2H]- 427.17517 199.3
[M]+ 406.19995 203.0
[M]- 406.20105 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.