CID 463040

172256-11-0

Structural Information

Molecular Formula
C22H24N2O3Se
SMILES
CC1=CC(=CC=C1)[Se]C2=C(C(=O)NC(=O)N2COCC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C22H24N2O3Se/c1-15(2)19-20(25)23-22(26)24(14-27-13-17-9-5-4-6-10-17)21(19)28-18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3,(H,23,25,26)
InChIKey
CGJRRKRSKPAOPE-UHFFFAOYSA-N
Compound name
6-(3-methylphenyl)selanyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

444.0952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10248 204.8
[M+Na]+ 467.08442 212.1
[M-H]- 443.08792 210.2
[M+NH4]+ 462.12902 212.5
[M+K]+ 483.05836 205.2
[M+H-H2O]+ 427.09246 192.9
[M+HCOO]- 489.09340 222.2
[M+CH3COO]- 503.10905 221.5
[M+Na-2H]- 465.06987 204.0
[M]+ 444.09465 207.4
[M]- 444.09575 207.4
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