CID 373724

Nsc650626

Structural Information

Molecular Formula
C20H28N2O4S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C20H28N2O4S4/c1-17-3-7-19(8-4-17)29(23,24)21-11-13-27-15-16-28-14-12-22-30(25,26)20-9-5-18(2)6-10-20/h3-10,21-22H,11-16H2,1-2H3
InChIKey
ARKGBWNKRGOHOA-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.0932 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.10048 213.3
[M+Na]+ 511.08242 216.4
[M-H]- 487.08592 214.5
[M+NH4]+ 506.12702 219.1
[M+K]+ 527.05636 204.1
[M+H-H2O]+ 471.09046 203.9
[M+HCOO]- 533.09140 213.1
[M+CH3COO]- 547.10705 234.2
[M+Na-2H]- 509.06787 216.9
[M]+ 488.09265 213.9
[M]- 488.09375 213.9
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.