CID 46783545

Aceclofenac methyl ester

Structural Information

Molecular Formula
C17H15Cl2NO4
SMILES
COC(=O)COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C17H15Cl2NO4/c1-23-16(22)10-24-15(21)9-11-5-2-3-8-14(11)20-17-12(18)6-4-7-13(17)19/h2-8,20H,9-10H2,1H3
InChIKey
CYRWXOBAPNKPIF-UHFFFAOYSA-N
Compound name
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.0378 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04508 179.0
[M+Na]+ 390.02702 187.3
[M-H]- 366.03052 185.4
[M+NH4]+ 385.07162 192.6
[M+K]+ 406.00096 182.0
[M+H-H2O]+ 350.03506 172.7
[M+HCOO]- 412.03600 193.2
[M+CH3COO]- 426.05165 214.3
[M+Na-2H]- 388.01247 180.5
[M]+ 367.03725 186.4
[M]- 367.03835 186.4
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