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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.