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 195.0
[M+Na]+ 416.14324 199.9
[M-H]- 392.14674 201.4
[M+NH4]+ 411.18784 204.9
[M+K]+ 432.11718 193.9
[M+H-H2O]+ 376.15128 183.1
[M+HCOO]- 438.15222 213.7
[M+CH3COO]- 452.16787 225.9
[M+Na-2H]- 414.12869 193.4
[M]+ 393.15347 192.6
[M]- 393.15457 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.