CID 5280010

6-(3,5-dimethylbenzoyl)-5-isopropyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H26N2O4
SMILES
CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=C(C=C3)OC)C(C)C)C
InChI
InChI=1S/C24H26N2O4/c1-14(2)20-21(22(27)18-11-15(3)10-16(4)12-18)26(24(29)25-23(20)28)13-17-6-8-19(30-5)9-7-17/h6-12,14H,13H2,1-5H3,(H,25,28,29)
InChIKey
TXXUXVVQBCIMQO-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-1-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 198.0
[M+Na]+ 429.17849 206.9
[M-H]- 405.18199 204.7
[M+NH4]+ 424.22309 205.5
[M+K]+ 445.15243 201.1
[M+H-H2O]+ 389.18653 187.2
[M+HCOO]- 451.18747 215.0
[M+CH3COO]- 465.20312 227.3
[M+Na-2H]- 427.16394 195.6
[M]+ 406.18872 202.0
[M]- 406.18982 202.0
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.