CID 16095228

6-[(3-allyloxyphenyl)methyl]-1,3-bis(ethoxymethyl)-5-ethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H30N2O5
SMILES
CCC1=C(N(C(=O)N(C1=O)COCC)COCC)CC2=CC(=CC=C2)OCC=C
InChI
InChI=1S/C22H30N2O5/c1-5-12-29-18-11-9-10-17(13-18)14-20-19(6-2)21(25)24(16-28-8-4)22(26)23(20)15-27-7-3/h5,9-11,13H,1,6-8,12,14-16H2,2-4H3
InChIKey
DLOYAJDEVZGNAC-UHFFFAOYSA-N
Compound name
1,3-bis(ethoxymethyl)-5-ethyl-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.21548 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22276 196.7
[M+Na]+ 425.20470 205.3
[M-H]- 401.20820 200.8
[M+NH4]+ 420.24930 205.5
[M+K]+ 441.17864 200.6
[M+H-H2O]+ 385.21274 186.0
[M+HCOO]- 447.21368 216.9
[M+CH3COO]- 461.22933 226.5
[M+Na-2H]- 423.19015 196.4
[M]+ 402.21493 206.8
[M]- 402.21603 206.8
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.