CID 15957828

Schembl6088185

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC(=O)C)C(C)C)C
InChI
InChI=1S/C19H22N2O4/c1-10(2)15-16(17(23)14-7-11(3)6-12(4)8-14)21(9-13(5)22)19(25)20-18(15)24/h6-8,10H,9H2,1-5H3,(H,20,24,25)
InChIKey
FNTJXDMVUSOPAR-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-(2-oxopropyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

342.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 177.0
[M+Na]+ 365.14718 186.4
[M-H]- 341.15068 180.9
[M+NH4]+ 360.19178 187.6
[M+K]+ 381.12112 182.0
[M+H-H2O]+ 325.15522 168.5
[M+HCOO]- 387.15616 194.0
[M+CH3COO]- 401.17181 215.3
[M+Na-2H]- 363.13263 174.6
[M]+ 342.15741 180.6
[M]- 342.15851 180.6
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

patents stripe