CID 463017

172255-84-4

Structural Information

Molecular Formula
C16H20N2O4Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO)[Se]C2=CC=CC(=C2)C
InChI
InChI=1S/C16H20N2O4Se/c1-3-13-14(20)17-16(21)18(10-22-8-7-19)15(13)23-12-6-4-5-11(2)9-12/h4-6,9,19H,3,7-8,10H2,1-2H3,(H,17,20,21)
InChIKey
UNQVCSNHZGTWKV-UHFFFAOYSA-N
Compound name
5-ethyl-1-(2-hydroxyethoxymethyl)-6-(3-methylphenyl)selanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.05884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06612 186.4
[M+Na]+ 407.04806 195.0
[M-H]- 383.05156 187.9
[M+NH4]+ 402.09266 196.6
[M+K]+ 423.02200 189.2
[M+H-H2O]+ 367.05610 176.7
[M+HCOO]- 429.05704 204.4
[M+CH3COO]- 443.07269 206.6
[M+Na-2H]- 405.03351 187.1
[M]+ 384.05829 190.0
[M]- 384.05939 190.0
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