CID 463018

172255-85-5

Structural Information

Molecular Formula
C17H22N2O4Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO)[Se]C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C17H22N2O4Se/c1-4-14-15(21)18-17(22)19(10-23-6-5-20)16(14)24-13-8-11(2)7-12(3)9-13/h7-9,20H,4-6,10H2,1-3H3,(H,18,21,22)
InChIKey
RDGPVAMOSYCHFF-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)selanyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.0745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.08178 190.9
[M+Na]+ 421.06372 199.9
[M-H]- 397.06722 192.5
[M+NH4]+ 416.10832 200.8
[M+K]+ 437.03766 194.0
[M+H-H2O]+ 381.07176 181.2
[M+HCOO]- 443.07270 208.4
[M+CH3COO]- 457.08835 210.9
[M+Na-2H]- 419.04917 190.3
[M]+ 398.07395 195.2
[M]- 398.07505 195.2
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

patents stripe