CID 3052091

68430-59-1

Structural Information

Molecular Formula
C19H15Cl2NO4
SMILES
CCOC(=O)CC1=C(OC(=N1)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl2NO4/c1-2-24-17(23)11-16-19(25-15-9-7-14(21)8-10-15)26-18(22-16)12-3-5-13(20)6-4-12/h3-10H,2,11H2,1H3
InChIKey
OCPQKHSAGFKOJU-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(4-chlorophenoxy)-2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.0378 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04508 188.0
[M+Na]+ 414.02702 198.1
[M-H]- 390.03052 197.0
[M+NH4]+ 409.07162 199.9
[M+K]+ 430.00096 193.1
[M+H-H2O]+ 374.03506 179.8
[M+HCOO]- 436.03600 200.6
[M+CH3COO]- 450.05165 215.3
[M+Na-2H]- 412.01247 188.4
[M]+ 391.03725 197.4
[M]- 391.03835 197.4
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