CID 321609

Nsc273897

Structural Information

Molecular Formula
C16H20N2O4S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4S4/c19-25(20,15-7-3-1-4-8-15)17-11-13-23-24-14-12-18-26(21,22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
NLXIVLQZSVDDOG-UHFFFAOYSA-N
Compound name
N-[2-[2-(benzenesulfonamido)ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

432.03058 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.03786 200.1
[M+Na]+ 455.01980 204.0
[M-H]- 431.02330 201.6
[M+NH4]+ 450.06440 207.7
[M+K]+ 470.99374 192.2
[M+H-H2O]+ 415.02784 191.3
[M+HCOO]- 477.02878 201.3
[M+CH3COO]- 491.04443 221.4
[M+Na-2H]- 453.00525 205.8
[M]+ 432.03003 198.8
[M]- 432.03113 198.8
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