CID 15957833

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

Structural Information

Molecular Formula
C22H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)C2=CC=CC=C2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C22H22N2O4/c1-4-18-20(26)23-22(27)24(13-19(25)16-8-6-5-7-9-16)21(18)28-17-11-14(2)10-15(3)12-17/h5-12H,4,13H2,1-3H3,(H,23,26,27)
InChIKey
CBWWADGRQFODAX-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-5-ethyl-1-phenacylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

378.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16524 190.4
[M+Na]+ 401.14718 199.6
[M-H]- 377.15068 197.0
[M+NH4]+ 396.19178 198.8
[M+K]+ 417.12112 193.5
[M+H-H2O]+ 361.15522 179.5
[M+HCOO]- 423.15616 209.1
[M+CH3COO]- 437.17181 219.2
[M+Na-2H]- 399.13263 190.7
[M]+ 378.15741 193.8
[M]- 378.15851 193.8
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