CID 483489

Chembl551516

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CCC2CCCC2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C21H28N2O3/c1-4-18-19(24)22-21(25)23(10-9-16-7-5-6-8-16)20(18)26-17-12-14(2)11-15(3)13-17/h11-13,16H,4-10H2,1-3H3,(H,22,24,25)
InChIKey
KQNYTTKONBZUQB-UHFFFAOYSA-N
Compound name
1-(2-cyclopentylethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.21 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 186.8
[M+Na]+ 379.19922 194.7
[M-H]- 355.20272 193.0
[M+NH4]+ 374.24382 198.5
[M+K]+ 395.17316 188.6
[M+H-H2O]+ 339.20726 177.3
[M+HCOO]- 401.20820 204.7
[M+CH3COO]- 415.22385 214.2
[M+Na-2H]- 377.18467 184.1
[M]+ 356.20945 188.0
[M]- 356.21055 188.0
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.