CID 463032

172256-01-8

Structural Information

Molecular Formula
C16H20N2O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)[Se]C2=CC=CC(=C2)C
InChI
InChI=1S/C16H20N2O3Se/c1-4-13-14(19)17-16(20)18(10-21-5-2)15(13)22-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3,(H,17,19,20)
InChIKey
JBSKPLPQKURYSS-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(3-methylphenyl)selanylpyrimidine-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 183.0
[M+Na]+ 391.05312 192.2
[M-H]- 367.05662 185.8
[M+NH4]+ 386.09772 194.7
[M+K]+ 407.02706 186.6
[M+H-H2O]+ 351.06116 173.2
[M+HCOO]- 413.06210 202.3
[M+CH3COO]- 427.07775 206.8
[M+Na-2H]- 389.03857 184.1
[M]+ 368.06335 187.0
[M]- 368.06445 187.0
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