CID 6477688

5-ethyl-1-[(z)-4-trityloxybut-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C29H28N2O3
SMILES
CCC1=CN(C(=O)NC1=O)C/C=C\COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H28N2O3/c1-2-23-22-31(28(33)30-27(23)32)20-12-13-21-34-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-19,22H,2,20-21H2,1H3,(H,30,32,33)/b13-12-
InChIKey
VJDRDIHBEDCSIF-SEYXRHQNSA-N
Compound name
5-ethyl-1-[(Z)-4-trityloxybut-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.21 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21728 214.7
[M+Na]+ 475.19922 219.9
[M-H]- 451.20272 222.3
[M+NH4]+ 470.24382 218.5
[M+K]+ 491.17316 211.0
[M+H-H2O]+ 435.20726 201.3
[M+HCOO]- 497.20820 231.0
[M+CH3COO]- 511.22385 228.8
[M+Na-2H]- 473.18467 217.6
[M]+ 452.20945 214.5
[M]- 452.21055 214.5
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.