CID 16077339

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

Structural Information

Molecular Formula
C26H24N2O4
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H24N2O4/c1-17(2)22-23(24(29)21-14-8-12-19-11-6-7-13-20(19)21)28(26(31)27-25(22)30)16-32-15-18-9-4-3-5-10-18/h3-14,17H,15-16H2,1-2H3,(H,27,30,31)
InChIKey
DZPSWIWUCRZFPH-UHFFFAOYSA-N
Compound name
6-(naphthalene-1-carbonyl)-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.1736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 204.7
[M+Na]+ 451.16282 211.8
[M-H]- 427.16632 211.2
[M+NH4]+ 446.20742 211.1
[M+K]+ 467.13676 205.0
[M+H-H2O]+ 411.17086 192.6
[M+HCOO]- 473.17180 220.4
[M+CH3COO]- 487.18745 228.5
[M+Na-2H]- 449.14827 205.6
[M]+ 428.17305 206.8
[M]- 428.17415 206.8
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.