CID 509584

Zinc03629168

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H22N2O4/c1-2-17-18(22(13-26-10-9-23)20(25)21-19(17)24)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,23H,2,9-10,12-13H2,1H3,(H,21,24,25)
InChIKey
HBHXPXWRIDEGPI-UHFFFAOYSA-N
Compound name
5-ethyl-1-(2-hydroxyethoxymethyl)-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.15796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.6
[M+Na]+ 377.14718 193.5
[M-H]- 353.15068 187.2
[M+NH4]+ 372.19178 194.6
[M+K]+ 393.12112 186.9
[M+H-H2O]+ 337.15522 174.7
[M+HCOO]- 399.15616 201.8
[M+CH3COO]- 413.17181 211.2
[M+Na-2H]- 375.13263 188.1
[M]+ 354.15741 187.9
[M]- 354.15851 187.9
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.