CID 321610

Nsc273898

Structural Information

Molecular Formula
C16H18Cl2N2O4S4
SMILES
C1=CC(=CC=C1S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2O4S4/c17-13-1-5-15(6-2-13)27(21,22)19-9-11-25-26-12-10-20-28(23,24)16-7-3-14(18)4-8-16/h1-8,19-20H,9-12H2
InChIKey
LSZXVZMMTYRNNR-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

499.95264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.95992 207.1
[M+Na]+ 522.94186 212.0
[M-H]- 498.94536 209.9
[M+NH4]+ 517.98646 214.1
[M+K]+ 538.91580 199.8
[M+H-H2O]+ 482.94990 201.3
[M+HCOO]- 544.95084 200.0
[M+CH3COO]- 558.96649 230.1
[M+Na-2H]- 520.92731 211.5
[M]+ 499.95209 209.3
[M]- 499.95319 209.3
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