CID 463038

172256-09-6

Structural Information

Molecular Formula
C16H18F2N2O3Se
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)[Se]C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C16H18F2N2O3Se/c1-4-23-8-20-15(13(9(2)3)14(21)19-16(20)22)24-12-6-10(17)5-11(18)7-12/h5-7,9H,4,8H2,1-3H3,(H,19,21,22)
InChIKey
GJLMAIMGAQRSNQ-UHFFFAOYSA-N
Compound name
6-(3,5-difluorophenyl)selanyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

404.04507 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.05235 188.6
[M+Na]+ 427.03429 198.5
[M-H]- 403.03779 189.0
[M+NH4]+ 422.07889 198.8
[M+K]+ 443.00823 192.5
[M+H-H2O]+ 387.04233 177.2
[M+HCOO]- 449.04327 204.7
[M+CH3COO]- 463.05892 214.3
[M+Na-2H]- 425.01974 186.5
[M]+ 404.04452 190.2
[M]- 404.04562 190.2
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