CID 463036

172256-07-4

Structural Information

Molecular Formula
C17H22N2O3Se
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)[Se]C2=CC=CC(=C2)C
InChI
InChI=1S/C17H22N2O3Se/c1-5-22-10-19-16(23-13-8-6-7-12(4)9-13)14(11(2)3)15(20)18-17(19)21/h6-9,11H,5,10H2,1-4H3,(H,18,20,21)
InChIKey
WVTRASIOGMYRGQ-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-(3-methylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

382.07956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08684 187.1
[M+Na]+ 405.06878 195.6
[M-H]- 381.07228 189.8
[M+NH4]+ 400.11338 198.1
[M+K]+ 421.04272 190.3
[M+H-H2O]+ 365.07682 177.3
[M+HCOO]- 427.07776 205.1
[M+CH3COO]- 441.09341 210.7
[M+Na-2H]- 403.05423 186.5
[M]+ 382.07901 190.9
[M]- 382.08011 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe