CID 38227

N-(m-chlorophenyl)-alpha-propylmandelamide

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CCCC(C1=CC=CC=C1)(C(=O)NC2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C17H18ClNO2/c1-2-11-17(21,13-7-4-3-5-8-13)16(20)19-15-10-6-9-14(18)12-15/h3-10,12,21H,2,11H2,1H3,(H,19,20)
InChIKey
DCLGNIYJVFHJSD-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-hydroxy-2-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 170.1
[M+Na]+ 326.09182 176.3
[M-H]- 302.09532 175.1
[M+NH4]+ 321.13642 184.8
[M+K]+ 342.06576 170.4
[M+H-H2O]+ 286.09986 163.5
[M+HCOO]- 348.10080 186.5
[M+CH3COO]- 362.11645 202.0
[M+Na-2H]- 324.07727 174.8
[M]+ 303.10205 171.4
[M]- 303.10315 171.4
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.