CID 453150

E-hebu-dm

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C18H24N2O4/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)20(11-24-6-5-21)18(23)19-17(15)22/h7-9,21H,4-6,10-11H2,1-3H3,(H,19,22,23)
InChIKey
YMBPFDAIUFGFNC-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

332.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 178.9
[M+Na]+ 355.16282 188.5
[M-H]- 331.16632 181.1
[M+NH4]+ 350.20742 189.5
[M+K]+ 371.13676 182.9
[M+H-H2O]+ 315.17086 170.0
[M+HCOO]- 377.17180 197.2
[M+CH3COO]- 391.18745 208.7
[M+Na-2H]- 353.14827 179.6
[M]+ 332.17305 183.3
[M]- 332.17415 183.3
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