CID 3079811

N-(2-benzoyl-4-chlorophenyl)-2-(2-hydroxy-2-phenylethylamino)acetamide maleate

Structural Information

Molecular Formula
C23H21ClN2O3
SMILES
C1=CC=C(C=C1)C(CNCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C23H21ClN2O3/c24-18-11-12-20(19(13-18)23(29)17-9-5-2-6-10-17)26-22(28)15-25-14-21(27)16-7-3-1-4-8-16/h1-13,21,25,27H,14-15H2,(H,26,28)
InChIKey
XUTOVLTXSYISAR-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.12408 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13136 196.2
[M+Na]+ 431.11330 199.9
[M-H]- 407.11680 203.7
[M+NH4]+ 426.15790 205.3
[M+K]+ 447.08724 193.5
[M+H-H2O]+ 391.12134 187.0
[M+HCOO]- 453.12228 212.8
[M+CH3COO]- 467.13793 225.0
[M+Na-2H]- 429.09875 197.2
[M]+ 408.12353 196.9
[M]- 408.12463 196.9
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

No patent data available for this compound.