CID 464758

5f-6phse-acyl-u

Structural Information

Molecular Formula
C13H13FN2O3Se
SMILES
CCOCN1C(=C(C(=O)NC1=O)F)[Se]C2=CC=CC=C2
InChI
InChI=1S/C13H13FN2O3Se/c1-2-19-8-16-12(10(14)11(17)15-13(16)18)20-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,17,18)
InChIKey
OCZRBALXDQMUDV-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-fluoro-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.00754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.01482 172.4
[M+Na]+ 366.99676 182.2
[M-H]- 343.00026 174.0
[M+NH4]+ 362.04136 184.7
[M+K]+ 382.97070 176.6
[M+H-H2O]+ 327.00480 162.0
[M+HCOO]- 389.00574 191.7
[M+CH3COO]- 403.02139 199.2
[M+Na-2H]- 364.98221 175.2
[M]+ 344.00699 173.9
[M]- 344.00809 173.9
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

No patent data available for this compound.