CID 16074511

1-allyl-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC=C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H18N2O3/c1-3-12-22-17(14(4-2)19(24)21-20(22)25)18(23)16-11-7-9-13-8-5-6-10-15(13)16/h3,5-11H,1,4,12H2,2H3,(H,21,24,25)
InChIKey
AKUQCMQONWTDGH-UHFFFAOYSA-N
Compound name
5-ethyl-6-(naphthalene-1-carbonyl)-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 178.6
[M+Na]+ 357.12096 188.5
[M-H]- 333.12446 182.7
[M+NH4]+ 352.16556 190.0
[M+K]+ 373.09490 181.3
[M+H-H2O]+ 317.12900 169.0
[M+HCOO]- 379.12994 196.6
[M+CH3COO]- 393.14559 210.8
[M+Na-2H]- 355.10641 181.4
[M]+ 334.13119 180.3
[M]- 334.13229 180.3
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.