CID 5280007

Chembl550163

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=CC=C3)C(C)C)C
InChI
InChI=1S/C23H24N2O3/c1-14(2)19-20(21(26)18-11-15(3)10-16(4)12-18)25(23(28)24-22(19)27)13-17-8-6-5-7-9-17/h5-12,14H,13H2,1-4H3,(H,24,27,28)
InChIKey
XZKWHOTXDXTUIM-UHFFFAOYSA-N
Compound name
1-benzyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

376.17868 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 190.7
[M+Na]+ 399.16790 199.5
[M-H]- 375.17140 197.3
[M+NH4]+ 394.21250 199.3
[M+K]+ 415.14184 193.0
[M+H-H2O]+ 359.17594 180.2
[M+HCOO]- 421.17688 208.0
[M+CH3COO]- 435.19253 220.8
[M+Na-2H]- 397.15335 189.5
[M]+ 376.17813 192.6
[M]- 376.17923 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe