CID 46783544

Aceclofenac ethyl ester

Structural Information

Molecular Formula
C18H17Cl2NO4
SMILES
CCOC(=O)COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C18H17Cl2NO4/c1-2-24-17(23)11-25-16(22)10-12-6-3-4-9-15(12)21-18-13(19)7-5-8-14(18)20/h3-9,21H,2,10-11H2,1H3
InChIKey
JDOYJDOPEHMRPB-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.05347 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06075 184.5
[M+Na]+ 404.04269 198.2
[M+NH4]+ 399.08729 191.2
[M+K]+ 420.01663 190.4
[M-H]- 380.04619 187.7
[M+Na-2H]- 402.02814 191.4
[M]+ 381.05292 187.8
[M]- 381.05402 187.8
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

patents stripe