CID 3013447

1-(cyclohex-3-en-1-ylmethoxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COCC2CCC=CC2)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C24H32N2O3/c1-4-8-21-22(14-20-12-17(2)11-18(3)13-20)26(24(28)25-23(21)27)16-29-15-19-9-6-5-7-10-19/h5-6,11-13,19H,4,7-10,14-16H2,1-3H3,(H,25,27,28)
InChIKey
ADRMBDJOWVZMQG-UHFFFAOYSA-N
Compound name
1-(cyclohex-3-en-1-ylmethoxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.2413 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 200.0
[M+Na]+ 419.23052 206.6
[M-H]- 395.23402 205.2
[M+NH4]+ 414.27512 207.9
[M+K]+ 435.20446 199.7
[M+H-H2O]+ 379.23856 188.7
[M+HCOO]- 441.23950 215.9
[M+CH3COO]- 455.25515 223.3
[M+Na-2H]- 417.21597 198.3
[M]+ 396.24075 201.2
[M]- 396.24185 201.2
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.