CID 395067

Nsc699329

Structural Information

Molecular Formula
C22H24N2O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCC[Se]C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O3Se/c1-2-19-20(15-17-9-5-3-6-10-17)24(22(26)23-21(19)25)16-27-13-14-28-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,23,25,26)
InChIKey
CRFMUYWKAZAMSQ-UHFFFAOYSA-N
Compound name
6-benzyl-5-ethyl-1-(2-phenylselanylethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.0952 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10248 205.0
[M+Na]+ 467.08442 211.6
[M-H]- 443.08792 209.8
[M+NH4]+ 462.12902 212.4
[M+K]+ 483.05836 204.0
[M+H-H2O]+ 427.09246 192.6
[M+HCOO]- 489.09340 223.3
[M+CH3COO]- 503.10905 219.4
[M+Na-2H]- 465.06987 205.9
[M]+ 444.09465 207.6
[M]- 444.09575 207.6
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

No patent data available for this compound.