CID 16095242

3-[3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-pyrimidin-4-yl]methyl]phenyl]propanal

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC=CC(=C2)CCC=O
InChI
InChI=1S/C19H24N2O4/c1-3-16-17(21(13-25-4-2)19(24)20-18(16)23)12-15-8-5-7-14(11-15)9-6-10-22/h5,7-8,10-11H,3-4,6,9,12-13H2,1-2H3,(H,20,23,24)
InChIKey
HIHREEAAFDYQLY-UHFFFAOYSA-N
Compound name
3-[3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxopyrimidin-4-yl]methyl]phenyl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 181.4
[M+Na]+ 367.16282 190.4
[M-H]- 343.16632 184.4
[M+NH4]+ 362.20742 191.8
[M+K]+ 383.13676 184.7
[M+H-H2O]+ 327.17086 171.8
[M+HCOO]- 389.17180 201.1
[M+CH3COO]- 403.18745 211.9
[M+Na-2H]- 365.14827 182.8
[M]+ 344.17305 186.9
[M]- 344.17415 186.9
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.