CID 509577

1-(ethoxymethyl)-6-(1-naphthylmethyl)-5-propyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COCC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O3/c1-3-8-18-19(23(14-26-4-2)21(25)22-20(18)24)13-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,22,24,25)
InChIKey
ANZFEYSZXJEAJS-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 186.1
[M+Na]+ 375.16790 195.2
[M-H]- 351.17140 189.8
[M+NH4]+ 370.21250 197.0
[M+K]+ 391.14184 188.4
[M+H-H2O]+ 335.17594 175.8
[M+HCOO]- 397.17688 204.3
[M+CH3COO]- 411.19253 214.2
[M+Na-2H]- 373.15335 189.3
[M]+ 352.17813 190.0
[M]- 352.17923 190.0
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.