CID 15957831

6-(3,5-dimethylbenzoyl)-5-ethyl-1-(2-oxobutyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)CC)C(=O)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H22N2O4/c1-5-14(22)10-21-16(15(6-2)18(24)20-19(21)25)17(23)13-8-11(3)7-12(4)9-13/h7-9H,5-6,10H2,1-4H3,(H,20,24,25)
InChIKey
NFWRCUBQIXBJJW-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-5-ethyl-1-(2-oxobutyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.15796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 178.2
[M+Na]+ 365.14718 187.9
[M-H]- 341.15068 182.0
[M+NH4]+ 360.19178 188.9
[M+K]+ 381.12112 182.8
[M+H-H2O]+ 325.15522 169.5
[M+HCOO]- 387.15616 196.2
[M+CH3COO]- 401.17181 214.3
[M+Na-2H]- 363.13263 176.9
[M]+ 342.15741 182.4
[M]- 342.15851 182.4
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