CID 16095232

1-(ethoxymethyl)-5-ethyl-6-[[3-[2-(oxiran-2-yl)ethyl]phenyl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC=CC(=C2)CCC3CO3
InChI
InChI=1S/C20H26N2O4/c1-3-17-18(22(13-25-4-2)20(24)21-19(17)23)11-15-7-5-6-14(10-15)8-9-16-12-26-16/h5-7,10,16H,3-4,8-9,11-13H2,1-2H3,(H,21,23,24)
InChIKey
ZBIBUMGKJOLTIY-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-[[3-[2-(oxiran-2-yl)ethyl]phenyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 190.5
[M+Na]+ 381.17849 200.7
[M-H]- 357.18199 197.7
[M+NH4]+ 376.22309 194.6
[M+K]+ 397.15243 194.9
[M+H-H2O]+ 341.18653 180.3
[M+HCOO]- 403.18747 209.2
[M+CH3COO]- 417.20312 216.1
[M+Na-2H]- 379.16394 191.8
[M]+ 358.18872 198.4
[M]- 358.18982 198.4
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.