CID 392565

Nsc693109

Structural Information

Molecular Formula
C14H16N2O3Se
SMILES
CC1=CN(C(=O)NC1=O)COCC[Se]C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3Se/c1-11-9-16(14(18)15-13(11)17)10-19-7-8-20-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,15,17,18)
InChIKey
PHRABUHJCHPPNM-UHFFFAOYSA-N
Compound name
5-methyl-1-(2-phenylselanylethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.03262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03990 174.1
[M+Na]+ 363.02184 182.4
[M-H]- 339.02534 176.4
[M+NH4]+ 358.06644 186.3
[M+K]+ 378.99578 177.1
[M+H-H2O]+ 323.02988 164.2
[M+HCOO]- 385.03082 194.1
[M+CH3COO]- 399.04647 198.3
[M+Na-2H]- 361.00729 177.7
[M]+ 340.03207 176.6
[M]- 340.03317 176.6
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.