CID 24832041

4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide

Structural Information

Molecular Formula
C21H18F2N2O
SMILES
C1=CC(=CC(=C1)C(=O)N)C2=CC=C(C=C2)[C@@H](CC3=C(C=CC(=C3)F)F)N
InChI
InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
InChIKey
JYKFWUXBFJJDTP-HXUWFJFHSA-N
Compound name
3-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

352.13873 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14601 184.1
[M+Na]+ 375.12795 190.7
[M-H]- 351.13145 190.4
[M+NH4]+ 370.17255 195.5
[M+K]+ 391.10189 184.0
[M+H-H2O]+ 335.13599 172.9
[M+HCOO]- 397.13693 204.3
[M+CH3COO]- 411.15258 220.8
[M+Na-2H]- 373.11340 183.0
[M]+ 352.13818 178.6
[M]- 352.13928 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe