CID 15957708

Chembl562570

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC=CC=C3)C(C)C)C
InChI
InChI=1S/C22H24N2O3/c1-14(2)19-20(25)23-22(26)24(13-17-8-6-5-7-9-17)21(19)27-18-11-15(3)10-16(4)12-18/h5-12,14H,13H2,1-4H3,(H,23,25,26)
InChIKey
GIHIMWKXGZBYFF-UHFFFAOYSA-N
Compound name
1-benzyl-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

364.17868 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.6
[M+Na]+ 387.16790 197.8
[M-H]- 363.17140 195.2
[M+NH4]+ 382.21250 197.8
[M+K]+ 403.14184 191.5
[M+H-H2O]+ 347.17594 177.9
[M+HCOO]- 409.17688 207.0
[M+CH3COO]- 423.19253 217.7
[M+Na-2H]- 385.15335 188.8
[M]+ 364.17813 191.4
[M]- 364.17923 191.4
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

No patent data available for this compound.