CID 453571

136632-04-7

Structural Information

Molecular Formula
C13H13FN2O4Se
SMILES
C1=CC=C(C=C1)[Se]C2=C(C(=O)NC(=O)N2COCCO)F
InChI
InChI=1S/C13H13FN2O4Se/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
InChIKey
FRFLBUHPVDVKFJ-UHFFFAOYSA-N
Compound name
5-fluoro-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

360.00247 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00975 175.7
[M+Na]+ 382.99169 184.7
[M-H]- 358.99519 175.8
[M+NH4]+ 378.03629 186.4
[M+K]+ 398.96563 179.0
[M+H-H2O]+ 342.99973 165.2
[M+HCOO]- 405.00067 193.6
[M+CH3COO]- 419.01632 199.1
[M+Na-2H]- 380.97714 178.0
[M]+ 360.00192 176.7
[M]- 360.00302 176.7
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