CID 465378

E-bpsu

Structural Information

Molecular Formula
C20H20N2O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)[Se]C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3Se/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,24)
InChIKey
KSCHXVGJFYXROD-UHFFFAOYSA-N
Compound name
5-ethyl-1-(phenylmethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

416.0639 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07118 196.2
[M+Na]+ 439.05312 203.8
[M-H]- 415.05662 201.4
[M+NH4]+ 434.09772 204.8
[M+K]+ 455.02706 196.6
[M+H-H2O]+ 399.06116 184.3
[M+HCOO]- 461.06210 215.2
[M+CH3COO]- 475.07775 213.5
[M+Na-2H]- 437.03857 198.2
[M]+ 416.06335 198.2
[M]- 416.06445 198.2
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