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 183.6
[M+Na]+ 404.04269 191.4
[M-H]- 380.04619 189.8
[M+NH4]+ 399.08729 196.7
[M+K]+ 420.01663 185.9
[M+H-H2O]+ 364.05073 177.0
[M+HCOO]- 426.05167 197.5
[M+CH3COO]- 440.06732 217.1
[M+Na-2H]- 402.02814 184.5
[M]+ 381.05292 191.3
[M]- 381.05402 191.3
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