CID 16074518

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

Structural Information

Molecular Formula
C20H16N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC#C)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H16N2O3/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/h1,5-11H,4,12H2,2H3,(H,21,24,25)
InChIKey
XGMBYEFFMBSXSZ-UHFFFAOYSA-N
Compound name
5-ethyl-6-(naphthalene-1-carbonyl)-1-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 181.8
[M+Na]+ 355.10532 193.6
[M-H]- 331.10882 182.9
[M+NH4]+ 350.14992 191.3
[M+K]+ 371.07926 184.2
[M+H-H2O]+ 315.11336 166.3
[M+HCOO]- 377.11430 193.8
[M+CH3COO]- 391.12995 214.9
[M+Na-2H]- 353.09077 182.6
[M]+ 332.11555 177.2
[M]- 332.11665 177.2
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.