CID 441047

5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole

Structural Information

Molecular Formula
C21H26Cl2N2O6
SMILES
C1COC(=N1)C2=CC(=C(C(=C2)Cl)OCCCCCC3=CC(=NO3)COCOCCO)Cl
InChI
InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2
InChIKey
JLSNWEWWUSOSMP-UHFFFAOYSA-N
Compound name
2-[[5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-1,2-oxazol-3-yl]methoxymethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.1168 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12408 208.0
[M+Na]+ 495.10602 214.6
[M-H]- 471.10952 214.2
[M+NH4]+ 490.15062 214.7
[M+K]+ 511.07996 211.2
[M+H-H2O]+ 455.11406 199.1
[M+HCOO]- 517.11500 216.4
[M+CH3COO]- 531.13065 226.3
[M+Na-2H]- 493.09147 205.3
[M]+ 472.11625 220.1
[M]- 472.11735 220.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.