CID 486783

5,6-dibenzyl-1-(ethoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCOCN1C(=C(C(=O)NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3/c1-2-26-15-23-19(14-17-11-7-4-8-12-17)18(20(24)22-21(23)25)13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,25)
InChIKey
IUVGLDPNFBBYBV-UHFFFAOYSA-N
Compound name
5,6-dibenzyl-1-(ethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.5
[M+Na]+ 373.15228 192.6
[M-H]- 349.15578 190.3
[M+NH4]+ 368.19688 193.7
[M+K]+ 389.12622 185.7
[M+H-H2O]+ 333.16032 173.3
[M+HCOO]- 395.16126 204.2
[M+CH3COO]- 409.17691 211.3
[M+Na-2H]- 371.13773 187.7
[M]+ 350.16251 186.5
[M]- 350.16361 186.5
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.