CID 15957760

Schembl6086806

Structural Information

Molecular Formula
C23H22Cl2N2O3
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=CC(=C3)Cl)Cl)C(C)C)C
InChI
InChI=1S/C23H22Cl2N2O3/c1-12(2)19-20(21(28)16-6-13(3)5-14(4)7-16)27(23(30)26-22(19)29)11-15-8-17(24)10-18(25)9-15/h5-10,12H,11H2,1-4H3,(H,26,29,30)
InChIKey
LBFIKOGYEYLSBO-UHFFFAOYSA-N
Compound name
1-[(3,5-dichlorophenyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

444.10074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10802 199.1
[M+Na]+ 467.08996 210.5
[M-H]- 443.09346 205.4
[M+NH4]+ 462.13456 207.1
[M+K]+ 483.06390 202.2
[M+H-H2O]+ 427.09800 190.1
[M+HCOO]- 489.09894 206.9
[M+CH3COO]- 503.11459 230.6
[M+Na-2H]- 465.07541 195.6
[M]+ 444.10019 205.7
[M]- 444.10129 205.7
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