CID 122827

5-ethyl-1-(ethoxymethyl)-6-(phenylselenenyl)uracil

Structural Information

Molecular Formula
C15H18N2O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)[Se]C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3Se/c1-3-12-13(18)16-15(19)17(10-20-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
InChIKey
IGFIJVXZVHIJST-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

564
Patents

354.04825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05553 178.6
[M+Na]+ 377.03747 187.4
[M-H]- 353.04097 181.2
[M+NH4]+ 372.08207 190.6
[M+K]+ 393.01141 181.9
[M+H-H2O]+ 337.04551 168.8
[M+HCOO]- 399.04645 198.3
[M+CH3COO]- 413.06210 202.5
[M+Na-2H]- 375.02292 180.9
[M]+ 354.04770 181.9
[M]- 354.04880 181.9
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

patents stripe