CID 131873376

1391584-88-5

Structural Information

Molecular Formula
C22H24N2O4S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N)OC
InChI
InChI=1S/C22H24N2O4S/c1-27-18-13-14-20(19(15-18)28-2)29(25,26)24-22(17-11-7-4-8-12-17)21(23)16-9-5-3-6-10-16/h3-15,21-22,24H,23H2,1-2H3/t21-,22-/m0/s1
InChIKey
DJVGCYOUWVNJIL-VXKWHMMOSA-N
Compound name
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1457 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15298 195.3
[M+Na]+ 435.13492 206.8
[M+NH4]+ 430.17952 201.5
[M+K]+ 451.10886 199.1
[M-H]- 411.13842 201.0
[M+Na-2H]- 433.12037 204.6
[M]+ 412.14515 199.0
[M]- 412.14625 199.0
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.