CID 453570

136632-03-6

Structural Information

Molecular Formula
C14H16N2O4Se
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)[Se]C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4Se/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
InChIKey
QBZVMPXGWMPTKG-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

356.02753 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03481 177.4
[M+Na]+ 379.01675 186.0
[M-H]- 355.02025 178.8
[M+NH4]+ 374.06135 188.5
[M+K]+ 394.99069 180.6
[M+H-H2O]+ 339.02479 167.9
[M+HCOO]- 401.02573 196.1
[M+CH3COO]- 415.04138 199.4
[M+Na-2H]- 377.00220 179.9
[M]+ 356.02698 179.9
[M]- 356.02808 179.9
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