CID 15957835

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

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H22N2O4/c1-4-18-20(21(27)17-11-14(2)10-15(3)12-17)25(23(29)24-22(18)28)13-19(26)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,24,28,29)
InChIKey
JFTFFVAJHRPOSM-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-5-ethyl-1-phenacylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

390.15796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 192.6
[M+Na]+ 413.14718 201.3
[M-H]- 389.15068 199.1
[M+NH4]+ 408.19178 200.3
[M+K]+ 429.12112 195.0
[M+H-H2O]+ 373.15522 181.8
[M+HCOO]- 435.15616 210.2
[M+CH3COO]- 449.17181 222.4
[M+Na-2H]- 411.13263 191.4
[M]+ 390.15741 195.1
[M]- 390.15851 195.1
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