CID 5279590

6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-(indan-1-yloxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H22Cl2N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COC2CCC3=CC=CC=C23)CC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C23H22Cl2N2O3/c1-2-18-20(11-14-9-16(24)12-17(25)10-14)27(23(29)26-22(18)28)13-30-21-8-7-15-5-3-4-6-19(15)21/h3-6,9-10,12,21H,2,7-8,11,13H2,1H3,(H,26,28,29)
InChIKey
LYLBQHFJMUHDJW-UHFFFAOYSA-N
Compound name
6-[(3,5-dichlorophenyl)methyl]-1-(2,3-dihydro-1H-inden-1-yloxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.10074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10802 205.0
[M+Na]+ 467.08996 216.0
[M-H]- 443.09346 211.5
[M+NH4]+ 462.13456 215.4
[M+K]+ 483.06390 206.8
[M+H-H2O]+ 427.09800 195.4
[M+HCOO]- 489.09894 213.3
[M+CH3COO]- 503.11459 213.8
[M+Na-2H]- 465.07541 202.8
[M]+ 444.10019 210.8
[M]- 444.10129 210.8
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.