CID 463035

172256-06-3

Structural Information

Molecular Formula
C16H20N2O3Se
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)[Se]C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3Se/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
InChIKey
ZPIXINLYUPHPPK-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-phenylselanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.0639 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07118 182.8
[M+Na]+ 391.05312 190.9
[M-H]- 367.05662 185.4
[M+NH4]+ 386.09772 194.1
[M+K]+ 407.02706 185.7
[M+H-H2O]+ 351.06116 173.0
[M+HCOO]- 413.06210 201.2
[M+CH3COO]- 427.07775 206.4
[M+Na-2H]- 389.03857 183.5
[M]+ 368.06335 185.9
[M]- 368.06445 185.9
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