CID 501424

6-[(3,5-dimethylphenyl)methyl]-5-isopropyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=O)N2COCC=C(C)C)C(C)C)C
InChI
InChI=1S/C22H30N2O3/c1-14(2)7-8-27-13-24-19(12-18-10-16(5)9-17(6)11-18)20(15(3)4)21(25)23-22(24)26/h7,9-11,15H,8,12-13H2,1-6H3,(H,23,25,26)
InChIKey
RBWGESXLGALITQ-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-1-(3-methylbut-2-enoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.22565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 190.6
[M+Na]+ 393.21487 198.9
[M-H]- 369.21837 193.8
[M+NH4]+ 388.25947 200.4
[M+K]+ 409.18881 193.1
[M+H-H2O]+ 353.22291 181.5
[M+HCOO]- 415.22385 207.2
[M+CH3COO]- 429.23950 221.1
[M+Na-2H]- 391.20032 187.5
[M]+ 370.22510 195.0
[M]- 370.22620 195.0
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

No patent data available for this compound.