CID 463039

172256-10-9

Structural Information

Molecular Formula
C21H22N2O3Se
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)[Se]C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3Se/c1-15(2)18-19(24)22-21(25)23(14-26-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,25)
InChIKey
DPPMRNBYZHWVQO-UHFFFAOYSA-N
Compound name
1-(phenylmethoxymethyl)-6-phenylselanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

430.07956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.08684 200.3
[M+Na]+ 453.06878 207.1
[M-H]- 429.07228 205.5
[M+NH4]+ 448.11338 208.2
[M+K]+ 469.04272 200.3
[M+H-H2O]+ 413.07682 188.4
[M+HCOO]- 475.07776 218.0
[M+CH3COO]- 489.09341 217.3
[M+Na-2H]- 451.05423 200.7
[M]+ 430.07901 202.0
[M]- 430.08011 202.0
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