CID 3074784

(1,1'-biphenyl)-4-butanamide, 2',4'-difluoro-alpha-methyl-gamma-oxo-n-(1-phenylethyl)-, (r-(r*,s*))-

Structural Information

Molecular Formula
C25H23F2NO2
SMILES
C[C@@H](CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)N[C@H](C)C3=CC=CC=C3
InChI
InChI=1S/C25H23F2NO2/c1-16(25(30)28-17(2)18-6-4-3-5-7-18)14-24(29)20-10-8-19(9-11-20)22-13-12-21(26)15-23(22)27/h3-13,15-17H,14H2,1-2H3,(H,28,30)/t16-,17+/m0/s1
InChIKey
IRODEYFFQWPTPR-DLBZAZTESA-N
Compound name
(2S)-4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.16968 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17696 199.0
[M+Na]+ 430.15890 203.2
[M-H]- 406.16240 205.3
[M+NH4]+ 425.20350 208.3
[M+K]+ 446.13284 197.6
[M+H-H2O]+ 390.16694 187.2
[M+HCOO]- 452.16788 216.4
[M+CH3COO]- 466.18353 229.7
[M+Na-2H]- 428.14435 195.8
[M]+ 407.16913 196.4
[M]- 407.17023 196.4
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.