CID 11061624

170709-41-8

Structural Information

Molecular Formula
C28H28N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H28N2O4S2/c1-21-13-17-25(18-14-21)35(31,32)29-27(23-9-5-3-6-10-23)28(24-11-7-4-8-12-24)30-36(33,34)26-19-15-22(2)16-20-26/h3-20,27-30H,1-2H3/t27-,28-/m0/s1
InChIKey
SJEDVDWSFHJKIZ-NSOVKSMOSA-N
Compound name
4-methyl-N-[(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

520.14905 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.15633 215.5
[M+Na]+ 543.13827 227.6
[M+NH4]+ 538.18287 221.3
[M+K]+ 559.11221 217.5
[M-H]- 519.14177 222.7
[M+Na-2H]- 541.12372 227.5
[M]+ 520.14850 220.3
[M]- 520.14960 220.3
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

patents stripe