CID 15957834

6-(3,5-dimethylphenoxy)-5-isopropyl-1-phenacyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC(=O)C3=CC=CC=C3)C(C)C)C
InChI
InChI=1S/C23H24N2O4/c1-14(2)20-21(27)24-23(28)25(13-19(26)17-8-6-5-7-9-17)22(20)29-18-11-15(3)10-16(4)12-18/h5-12,14H,13H2,1-4H3,(H,24,27,28)
InChIKey
BHHCEXTXBNAJMW-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-phenacyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

392.1736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 193.8
[M+Na]+ 415.16282 202.3
[M-H]- 391.16632 200.4
[M+NH4]+ 410.20742 201.6
[M+K]+ 431.13676 196.6
[M+H-H2O]+ 375.17086 183.0
[M+HCOO]- 437.17180 211.3
[M+CH3COO]- 451.18745 223.0
[M+Na-2H]- 413.14827 192.6
[M]+ 392.17305 197.1
[M]- 392.17415 197.1
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