CID 463037

172256-08-5

Structural Information

Molecular Formula
C18H24N2O3Se
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)[Se]C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C18H24N2O3Se/c1-6-23-10-20-17(15(11(2)3)16(21)19-18(20)22)24-14-8-12(4)7-13(5)9-14/h7-9,11H,6,10H2,1-5H3,(H,19,21,22)
InChIKey
PPHWPFVJPJAXCZ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)selanyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

396.0952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10248 191.2
[M+Na]+ 419.08442 200.2
[M-H]- 395.08792 194.2
[M+NH4]+ 414.12902 202.0
[M+K]+ 435.05836 194.8
[M+H-H2O]+ 379.09246 181.5
[M+HCOO]- 441.09340 208.8
[M+CH3COO]- 455.10905 214.9
[M+Na-2H]- 417.06987 189.4
[M]+ 396.09465 195.8
[M]- 396.09575 195.8
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