CID 3013444

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

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COC2CCCC=C2)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H30N2O3/c1-4-8-20-21(14-18-12-16(2)11-17(3)13-18)25(23(27)24-22(20)26)15-28-19-9-6-5-7-10-19/h6,9,11-13,19H,4-5,7-8,10,14-15H2,1-3H3,(H,24,26,27)
InChIKey
CGHUCBQMDWZJMF-UHFFFAOYSA-N
Compound name
1-(cyclohex-2-en-1-yloxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.22565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 195.6
[M+Na]+ 405.21487 202.7
[M-H]- 381.21837 201.1
[M+NH4]+ 400.25947 204.1
[M+K]+ 421.18881 196.0
[M+H-H2O]+ 365.22291 184.5
[M+HCOO]- 427.22385 211.8
[M+CH3COO]- 441.23950 220.4
[M+Na-2H]- 403.20032 194.4
[M]+ 382.22510 196.5
[M]- 382.22620 196.5
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

No patent data available for this compound.