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

3
Patents

378.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.165236 190.4
[M+Na]+ 401.147178 199.6
[M-H]- 377.150684 197.0
[M+NH4]+ 396.191783 198.8
[M+K]+ 417.121118 193.5
[M+H-H2O]+ 361.155220 179.5
[M+HCOO]- 423.156161 209.1
[M+CH3COO]- 437.171811 219.2
[M+Na-2H]- 399.132626 190.7
[M]+ 378.15741142 193.8
[M]- 378.15850858 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