CID 465379

E-bpysu

Structural Information

Molecular Formula
C19H19N3O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)[Se]C3=CC=CC=N3
InChI
InChI=1S/C19H19N3O3Se/c1-2-15-17(23)21-19(24)22(13-25-12-14-8-4-3-5-9-14)18(15)26-16-10-6-7-11-20-16/h3-11H,2,12-13H2,1H3,(H,21,23,24)
InChIKey
OWUPZFSFZGCQQP-UHFFFAOYSA-N
Compound name
5-ethyl-1-(phenylmethoxymethyl)-6-pyridin-2-ylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

417.05917 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.06645 196.6
[M+Na]+ 440.04839 204.6
[M-H]- 416.05189 200.6
[M+NH4]+ 435.09299 203.7
[M+K]+ 456.02233 197.2
[M+H-H2O]+ 400.05643 184.0
[M+HCOO]- 462.05737 214.5
[M+CH3COO]- 476.07302 213.3
[M+Na-2H]- 438.03384 199.2
[M]+ 417.05862 198.6
[M]- 417.05972 198.6
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