CID 460920

Chembl328140

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CCOC)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O3/c1-12(2)15-14(11-13-7-5-4-6-8-13)19(9-10-22-3)17(21)18-16(15)20/h4-8,12H,9-11H2,1-3H3,(H,18,20,21)
InChIKey
CLXYCXDZTIFLHC-UHFFFAOYSA-N
Compound name
6-benzyl-1-(2-methoxyethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 170.8
[M+Na]+ 325.15228 179.4
[M-H]- 301.15578 173.9
[M+NH4]+ 320.19688 182.8
[M+K]+ 341.12622 174.5
[M+H-H2O]+ 285.16032 161.7
[M+HCOO]- 347.16126 189.9
[M+CH3COO]- 361.17691 204.1
[M+Na-2H]- 323.13773 172.7
[M]+ 302.16251 173.9
[M]- 302.16361 173.9
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.