CID 481389

(4s)-4-amino-2,2-difluoro-5-phenyl-1-[benzyl(phenylsulfonyl)amino]pentan-3-one

Structural Information

Molecular Formula
C24H24F2N2O3S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C(CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)(F)F)N
InChI
InChI=1S/C24H24F2N2O3S/c25-24(26,23(29)22(27)16-19-10-4-1-5-11-19)18-28(17-20-12-6-2-7-13-20)32(30,31)21-14-8-3-9-15-21/h1-15,22H,16-18,27H2/t22-/m0/s1
InChIKey
LFTDSGXAEKIYFJ-QFIPXVFZSA-N
Compound name
N-[(4S)-4-amino-2,2-difluoro-3-oxo-5-phenylpentyl]-N-benzylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.14758 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15486 205.8
[M+Na]+ 481.13680 208.3
[M-H]- 457.14030 212.0
[M+NH4]+ 476.18140 212.8
[M+K]+ 497.11074 203.1
[M+H-H2O]+ 441.14484 193.9
[M+HCOO]- 503.14578 218.6
[M+CH3COO]- 517.16143 235.3
[M+Na-2H]- 479.12225 207.3
[M]+ 458.14703 204.4
[M]- 458.14813 204.4
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.