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 196.5
[M+Na]+ 435.13492 200.5
[M-H]- 411.13842 205.0
[M+NH4]+ 430.17952 205.5
[M+K]+ 451.10886 196.1
[M+H-H2O]+ 395.14296 186.7
[M+HCOO]- 457.14390 213.2
[M+CH3COO]- 471.15955 226.3
[M+Na-2H]- 433.12037 198.4
[M]+ 412.14515 198.6
[M]- 412.14625 198.6
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.