CID 509578

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

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O3/c1-4-26-13-23-18(19(14(2)3)20(24)22-21(23)25)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,22,24,25)
InChIKey
JEIXRKUVICQYHN-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 185.7
[M+Na]+ 375.167898 194.6
[M-H]- 351.171404 189.6
[M+NH4]+ 370.212503 196.6
[M+K]+ 391.141838 188.4
[M+H-H2O]+ 335.175940 175.7
[M+HCOO]- 397.176881 202.9
[M+CH3COO]- 411.192531 215.1
[M+Na-2H]- 373.153346 187.9
[M]+ 352.17813142 189.1
[M]- 352.17922858 189.1
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.