CID 397710

Nsc706111

Structural Information

Molecular Formula
C21H22N2O3Se
SMILES
CC1=CN(C(=O)NC1=O)C(CC2=CC=CC=C2)OCC[Se]C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3Se/c1-16-15-23(21(25)22-20(16)24)19(14-17-8-4-2-5-9-17)26-12-13-27-18-10-6-3-7-11-18/h2-11,15,19H,12-14H2,1H3,(H,22,24,25)
InChIKey
DMZHXXLRAHGWQN-UHFFFAOYSA-N
Compound name
5-methyl-1-[2-phenyl-1-(2-phenylselanylethoxy)ethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.07956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.08684 200.0
[M+Na]+ 453.06878 205.9
[M-H]- 429.07228 204.8
[M+NH4]+ 448.11338 207.6
[M+K]+ 469.04272 199.1
[M+H-H2O]+ 413.07682 187.9
[M+HCOO]- 475.07776 217.7
[M+CH3COO]- 489.09341 216.1
[M+Na-2H]- 451.05423 201.2
[M]+ 430.07901 201.3
[M]- 430.08011 201.3
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.