CID 16074524

1-benzyl-5-isopropyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H22N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H22N2O3/c1-16(2)21-22(23(28)20-14-8-12-18-11-6-7-13-19(18)20)27(25(30)26-24(21)29)15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H,26,29,30)
InChIKey
JSULHRAINAVJKW-UHFFFAOYSA-N
Compound name
1-benzyl-6-(naphthalene-1-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.16306 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17034 197.3
[M+Na]+ 421.15228 205.3
[M-H]- 397.15578 204.1
[M+NH4]+ 416.19688 205.2
[M+K]+ 437.12622 197.8
[M+H-H2O]+ 381.16032 185.7
[M+HCOO]- 443.16126 213.3
[M+CH3COO]- 457.17691 205.9
[M+Na-2H]- 419.13773 198.7
[M]+ 398.16251 197.8
[M]- 398.16361 197.8
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.