CID 38225

N-(p-bromophenyl)-alpha-propylmandelamide

Structural Information

Molecular Formula
C17H18BrNO2
SMILES
CCCC(C1=CC=CC=C1)(C(=O)NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C17H18BrNO2/c1-2-12-17(21,13-6-4-3-5-7-13)16(20)19-15-10-8-14(18)9-11-15/h3-11,21H,2,12H2,1H3,(H,19,20)
InChIKey
JUZPHNMBZUHDCU-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-hydroxy-2-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0521 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05938 175.2
[M+Na]+ 370.04132 183.0
[M-H]- 346.04482 182.3
[M+NH4]+ 365.08592 190.8
[M+K]+ 386.01526 170.5
[M+H-H2O]+ 330.04936 173.5
[M+HCOO]- 392.05030 193.4
[M+CH3COO]- 406.06595 207.1
[M+Na-2H]- 368.02677 180.8
[M]+ 347.05155 192.6
[M]- 347.05265 192.6
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.