CID 46783543

Aceclofenac benzyl ester

Structural Information

Molecular Formula
C23H19Cl2NO4
SMILES
C1=CC=C(C=C1)COC(=O)COC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C23H19Cl2NO4/c24-18-10-6-11-19(25)23(18)26-20-12-5-4-9-17(20)13-21(27)30-15-22(28)29-14-16-7-2-1-3-8-16/h1-12,26H,13-15H2
InChIKey
RLKZSYGBKCIRFJ-UHFFFAOYSA-N
Compound name
(2-oxo-2-phenylmethoxyethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

443.06912 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.07640 202.9
[M+Na]+ 466.05834 218.6
[M+NH4]+ 461.10294 210.0
[M+K]+ 482.03228 209.0
[M-H]- 442.06184 208.9
[M+Na-2H]- 464.04379 212.4
[M]+ 443.06857 207.5
[M]- 443.06967 207.5
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