CID 334895

23516-74-7

Structural Information

Molecular Formula
C18H24N2O4S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C18H24N2O4S4/c1-15-3-7-17(8-4-15)27(21,22)19-11-13-25-26-14-12-20-28(23,24)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKey
FZPRKJHNYWETLJ-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.0619 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.06918 206.7
[M+Na]+ 483.05112 210.6
[M-H]- 459.05462 208.2
[M+NH4]+ 478.09572 213.5
[M+K]+ 499.02506 198.7
[M+H-H2O]+ 443.05916 197.6
[M+HCOO]- 505.06010 207.0
[M+CH3COO]- 519.07575 228.9
[M+Na-2H]- 481.03657 210.8
[M]+ 460.06135 206.7
[M]- 460.06245 206.7
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.