CID 5280050

2-pyridinecarboxamide, 4-[[6-(3,5-dimethylbenzoyl)-3,4-dihydro-5-(1-methylethyl)-2,4-dioxo-1(2h)-pyrimidinyl]methyl]-

Structural Information

Molecular Formula
C23H24N4O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C(=O)N)C(C)C)C
InChI
InChI=1S/C23H24N4O4/c1-12(2)18-19(20(28)16-8-13(3)7-14(4)9-16)27(23(31)26-22(18)30)11-15-5-6-25-17(10-15)21(24)29/h5-10,12H,11H2,1-4H3,(H2,24,29)(H,26,30,31)
InChIKey
RWQIBYHVJNBKHV-UHFFFAOYSA-N
Compound name
4-[[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17975 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18703 202.2
[M+Na]+ 443.16897 210.6
[M-H]- 419.17247 207.5
[M+NH4]+ 438.21357 207.0
[M+K]+ 459.14291 204.5
[M+H-H2O]+ 403.17701 191.1
[M+HCOO]- 465.17795 217.9
[M+CH3COO]- 479.19360 232.4
[M+Na-2H]- 441.15442 199.0
[M]+ 420.17920 203.6
[M]- 420.18030 203.6
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.