CID 19611887

Benzenesulfonamide, n,n'-dithiobis[n-methyl-

Structural Information

Molecular Formula
C14H16N2O4S4
SMILES
CN(SSN(C)S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4S4/c1-15(23(17,18)13-9-5-3-6-10-13)21-22-16(2)24(19,20)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
JYRWUKPPRZOIIY-UHFFFAOYSA-N
Compound name
N-[[benzenesulfonyl(methyl)amino]disulfanyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

403.9993 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.00658 195.9
[M+Na]+ 426.98852 200.6
[M-H]- 402.99202 200.7
[M+NH4]+ 422.03312 205.6
[M+K]+ 442.96246 192.2
[M+H-H2O]+ 386.99656 186.9
[M+HCOO]- 448.99750 198.1
[M+CH3COO]- 463.01315 221.8
[M+Na-2H]- 424.97397 201.2
[M]+ 403.99875 196.5
[M]- 403.99985 196.5
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