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]+ 353.18596 185.7
[M+Na]+ 375.16790 194.6
[M-H]- 351.17140 189.6
[M+NH4]+ 370.21250 196.6
[M+K]+ 391.14184 188.4
[M+H-H2O]+ 335.17594 175.7
[M+HCOO]- 397.17688 202.9
[M+CH3COO]- 411.19253 215.1
[M+Na-2H]- 373.15335 187.9
[M]+ 352.17813 189.1
[M]- 352.17923 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.