CID 15957832

Lseatemelmcxrn-uhfffaoysa-n

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CCC(=O)CN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C20H24N2O4/c1-6-15(23)10-22-17(16(11(2)3)19(25)21-20(22)26)18(24)14-8-12(4)7-13(5)9-14/h7-9,11H,6,10H2,1-5H3,(H,21,25,26)
InChIKey
LSEATEMELMCXRN-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-(2-oxobutyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 181.6
[M+Na]+ 379.16282 190.5
[M-H]- 355.16632 185.2
[M+NH4]+ 374.20742 191.6
[M+K]+ 395.13676 185.9
[M+H-H2O]+ 339.17086 172.9
[M+HCOO]- 401.17180 198.3
[M+CH3COO]- 415.18745 218.2
[M+Na-2H]- 377.14827 178.7
[M]+ 356.17305 185.5
[M]- 356.17415 185.5
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

patents stripe