CID 3079829

N-(2-benzoyl-4-chlorophenyl)-2-(3-hydroxy-2-phenylpropylamino)acetamide maleate

Structural Information

Molecular Formula
C24H23ClN2O3
SMILES
C1=CC=C(C=C1)C(CNCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CO
InChI
InChI=1S/C24H23ClN2O3/c25-20-11-12-22(21(13-20)24(30)18-9-5-2-6-10-18)27-23(29)15-26-14-19(16-28)17-7-3-1-4-8-17/h1-13,19,26,28H,14-16H2,(H,27,29)
InChIKey
QYNTUXMTCRQYTP-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[(3-hydroxy-2-phenylpropyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1397 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14698 200.6
[M+Na]+ 445.12892 203.8
[M-H]- 421.13242 207.9
[M+NH4]+ 440.17352 209.1
[M+K]+ 461.10286 197.3
[M+H-H2O]+ 405.13696 191.2
[M+HCOO]- 467.13790 216.9
[M+CH3COO]- 481.15355 227.9
[M+Na-2H]- 443.11437 201.1
[M]+ 422.13915 201.6
[M]- 422.14025 201.6
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.