CID 465679

Chembl46675

Structural Information

Molecular Formula
C23H20ClNO3
SMILES
CC1=CC=CC=C1CNC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20ClNO3/c1-16-7-5-6-10-18(16)14-25-22(26)15-28-21-12-11-19(24)13-20(21)23(27)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,25,26)
InChIKey
MSYIEAGYWMKNPR-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-[(2-methylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.11316 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12044 193.7
[M+Na]+ 416.10238 200.0
[M-H]- 392.10588 202.9
[M+NH4]+ 411.14698 204.8
[M+K]+ 432.07632 193.7
[M+H-H2O]+ 376.11042 184.3
[M+HCOO]- 438.11136 211.6
[M+CH3COO]- 452.12701 222.4
[M+Na-2H]- 414.08783 194.7
[M]+ 393.11261 197.6
[M]- 393.11371 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.