CID 11146322

143585-47-1

Structural Information

Molecular Formula
C20H26N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m1/s1
InChIKey
FIAAGQKYVFEMGC-WOJBJXKFSA-N
Compound name
4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

422.1334 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14068 193.4
[M+Na]+ 445.12262 202.6
[M+NH4]+ 440.16722 199.5
[M+K]+ 461.09656 193.8
[M-H]- 421.12612 197.9
[M+Na-2H]- 443.10807 200.9
[M]+ 422.13285 196.8
[M]- 422.13395 196.8
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