CID 3074783

(+-)-2',4'-difluoro-alpha-methyl-delta-oxo-n-(phenylmethyl)-(1,1'-biphenyl)-4-butanamide

Structural Information

Molecular Formula
C24H21F2NO2
SMILES
CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C24H21F2NO2/c1-16(24(29)27-15-17-5-3-2-4-6-17)13-23(28)19-9-7-18(8-10-19)21-12-11-20(25)14-22(21)26/h2-12,14,16H,13,15H2,1H3,(H,27,29)
InChIKey
KSLAABIUMTXJJJ-UHFFFAOYSA-N
Compound name
N-benzyl-4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16130 196.6
[M+Na]+ 416.14324 208.7
[M+NH4]+ 411.18784 202.2
[M+K]+ 432.11718 200.7
[M-H]- 392.14674 200.0
[M+Na-2H]- 414.12869 204.4
[M]+ 393.15347 199.1
[M]- 393.15457 199.1
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.