CID 38225

N-(4-bromophenyl)-2-hydroxy-2-phenylpentanamide

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]+ 348.059376 175.2
[M+Na]+ 370.041318 183.0
[M-H]- 346.044824 182.3
[M+NH4]+ 365.085923 190.8
[M+K]+ 386.015258 170.5
[M+H-H2O]+ 330.049360 173.5
[M+HCOO]- 392.050301 193.4
[M+CH3COO]- 406.065951 207.1
[M+Na-2H]- 368.026766 180.8
[M]+ 347.05155142 192.6
[M]- 347.05264858 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.