CID 483500

1-(cyclopent-2-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2CCC=C2)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C20H24N2O3/c1-4-17-18(23)21-20(24)22(12-15-7-5-6-8-15)19(17)25-16-10-13(2)9-14(3)11-16/h5,7,9-11,15H,4,6,8,12H2,1-3H3,(H,21,23,24)
InChIKey
WDIXPBGALIOXIB-UHFFFAOYSA-N
Compound name
1-(cyclopent-2-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 181.2
[M+Na]+ 363.16790 190.5
[M-H]- 339.17140 187.9
[M+NH4]+ 358.21250 193.5
[M+K]+ 379.14184 184.4
[M+H-H2O]+ 323.17594 171.8
[M+HCOO]- 385.17688 200.9
[M+CH3COO]- 399.19253 210.8
[M+Na-2H]- 361.15335 179.9
[M]+ 340.17813 183.4
[M]- 340.17923 183.4
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.