CID 463021

172255-88-8

Structural Information

Molecular Formula
C18H24N2O4Se
SMILES
CC1=CC(=CC(=C1)[Se]C2=C(C(=O)NC(=O)N2COCCO)C(C)C)C
InChI
InChI=1S/C18H24N2O4Se/c1-11(2)15-16(22)19-18(23)20(10-24-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,23)
InChIKey
UVKIHRRWVZTRSQ-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)selanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

412.09012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09740 194.9
[M+Na]+ 435.07934 203.1
[M-H]- 411.08284 196.4
[M+NH4]+ 430.12394 204.1
[M+K]+ 451.05328 197.6
[M+H-H2O]+ 395.08738 185.2
[M+HCOO]- 457.08832 211.1
[M+CH3COO]- 471.10397 214.8
[M+Na-2H]- 433.06479 192.7
[M]+ 412.08957 199.0
[M]- 412.09067 199.0
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