CID 16074514

1-[(e)-cinnamyl]-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H22N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H22N2O3/c1-2-20-23(24(29)22-16-8-14-19-13-6-7-15-21(19)22)28(26(31)27-25(20)30)17-9-12-18-10-4-3-5-11-18/h3-16H,2,17H2,1H3,(H,27,30,31)/b12-9+
InChIKey
NWEYCWSDEMYCBN-FMIVXFBMSA-N
Compound name
5-ethyl-6-(naphthalene-1-carbonyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.16306 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 201.8
[M+Na]+ 433.15228 210.0
[M-H]- 409.15578 208.3
[M+NH4]+ 428.19688 209.2
[M+K]+ 449.12622 201.1
[M+H-H2O]+ 393.16032 189.8
[M+HCOO]- 455.16126 218.6
[M+CH3COO]- 469.17691 210.0
[M+Na-2H]- 431.13773 203.6
[M]+ 410.16251 202.4
[M]- 410.16361 202.4
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.