CID 460919

Chembl431423

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CCOC)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-3-13-14(11-12-7-5-4-6-8-12)18(9-10-21-2)16(20)17-15(13)19/h4-8H,3,9-11H2,1-2H3,(H,17,19,20)
InChIKey
MKUBGFWKKXIGLC-UHFFFAOYSA-N
Compound name
6-benzyl-5-ethyl-1-(2-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.5
[M+Na]+ 311.13662 175.9
[M-H]- 287.14012 169.7
[M+NH4]+ 306.18122 179.2
[M+K]+ 327.11056 170.7
[M+H-H2O]+ 271.14466 157.4
[M+HCOO]- 333.14560 186.9
[M+CH3COO]- 347.16125 200.2
[M+Na-2H]- 309.12207 170.1
[M]+ 288.14685 169.8
[M]- 288.14795 169.8
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.