CID 501415

Chembl152007

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC(=C)C)CC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O3/c1-13(2)11-24-12-21-16(10-15-8-6-5-7-9-15)17(14(3)4)18(22)20-19(21)23/h5-9,14H,1,10-12H2,2-4H3,(H,20,22,23)
InChIKey
DDYOAIKVTZHOJW-UHFFFAOYSA-N
Compound name
6-benzyl-1-(2-methylprop-2-enoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

328.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 177.9
[M+Na]+ 351.16790 185.6
[M-H]- 327.17140 180.8
[M+NH4]+ 346.21250 188.7
[M+K]+ 367.14184 180.3
[M+H-H2O]+ 311.17594 168.7
[M+HCOO]- 373.17688 195.5
[M+CH3COO]- 387.19253 210.2
[M+Na-2H]- 349.15335 177.8
[M]+ 328.17813 180.4
[M]- 328.17923 180.4
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