CID 46783543

(2-oxo-2-phenylmethoxyethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate

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 201.2
[M+Na]+ 466.05834 207.9
[M-H]- 442.06184 209.8
[M+NH4]+ 461.10294 211.0
[M+K]+ 482.03228 201.4
[M+H-H2O]+ 426.06638 192.4
[M+HCOO]- 488.06732 214.5
[M+CH3COO]- 502.08297 227.7
[M+Na-2H]- 464.04379 201.9
[M]+ 443.06857 208.2
[M]- 443.06967 208.2
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