CID 2734565

167316-27-0

Structural Information

Molecular Formula
C21H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N
InChI
InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m1/s1
InChIKey
UOPFIWYXBIHPIP-NHCUHLMSSA-N
Compound name
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1686
Patents

366.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14748 184.9
[M+Na]+ 389.12942 197.2
[M+NH4]+ 384.17402 192.4
[M+K]+ 405.10336 188.5
[M-H]- 365.13292 191.5
[M+Na-2H]- 387.11487 195.4
[M]+ 366.13965 189.0
[M]- 366.14075 189.0
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