CID 392560

Nsc693104

Structural Information

Molecular Formula
C23H26N2O3Se
SMILES
CCC1=C(N(C(=O)NC1=O)COCCC[Se]C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H26N2O3Se/c1-2-20-21(16-18-10-5-3-6-11-18)25(23(27)24-22(20)26)17-28-14-9-15-29-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,24,26,27)
InChIKey
VNUIOOBBVFLHKU-UHFFFAOYSA-N
Compound name
6-benzyl-5-ethyl-1-(3-phenylselanylpropoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.11087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11815 209.3
[M+Na]+ 481.10009 215.5
[M-H]- 457.10359 213.9
[M+NH4]+ 476.14469 216.1
[M+K]+ 497.07403 207.7
[M+H-H2O]+ 441.10813 196.7
[M+HCOO]- 503.10907 227.3
[M+CH3COO]- 517.12472 222.3
[M+Na-2H]- 479.08554 209.7
[M]+ 458.11032 212.2
[M]- 458.11142 212.2
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.