CID 483498

Chembl553470

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2CC2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C18H22N2O3/c1-4-15-16(21)19-18(22)20(10-13-5-6-13)17(15)23-14-8-11(2)7-12(3)9-14/h7-9,13H,4-6,10H2,1-3H3,(H,19,21,22)
InChIKey
YHOYZBOLGRMWLY-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

314.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 177.9
[M+Na]+ 337.15228 189.7
[M-H]- 313.15578 185.1
[M+NH4]+ 332.19688 185.3
[M+K]+ 353.12622 182.6
[M+H-H2O]+ 297.16032 168.8
[M+HCOO]- 359.16126 198.0
[M+CH3COO]- 373.17691 209.5
[M+Na-2H]- 335.13773 178.9
[M]+ 314.16251 183.5
[M]- 314.16361 183.5
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