CID 16074515

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

Structural Information

Molecular Formula
C24H20N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H20N2O3/c1-2-18-21(22(27)20-14-8-12-17-11-6-7-13-19(17)20)26(24(29)25-23(18)28)15-16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,25,28,29)
InChIKey
MOJLNRULFZBJLP-UHFFFAOYSA-N
Compound name
1-benzyl-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15468 193.7
[M+Na]+ 407.13662 202.5
[M-H]- 383.14012 200.6
[M+NH4]+ 402.18122 202.2
[M+K]+ 423.11056 194.6
[M+H-H2O]+ 367.14466 182.0
[M+HCOO]- 429.14560 211.0
[M+CH3COO]- 443.16125 202.8
[M+Na-2H]- 405.12207 196.6
[M]+ 384.14685 194.4
[M]- 384.14795 194.4
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.