CID 453151

E-ebu-dm

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C18H24N2O3/c1-5-15-16(10-14-8-12(3)7-13(4)9-14)20(11-23-6-2)18(22)19-17(15)21/h7-9H,5-6,10-11H2,1-4H3,(H,19,21,22)
InChIKey
LNEPZLRCYLNOIU-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

187
Patents

316.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 175.2
[M+Na]+ 339.16790 185.5
[M-H]- 315.17140 178.8
[M+NH4]+ 334.21250 187.4
[M+K]+ 355.14184 180.0
[M+H-H2O]+ 299.17594 166.3
[M+HCOO]- 361.17688 194.9
[M+CH3COO]- 375.19253 208.8
[M+Na-2H]- 337.15335 176.3
[M]+ 316.17813 180.1
[M]- 316.17923 180.1
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