CID 321617

Nsc273905

Structural Information

Molecular Formula
C22H22N4O4S4
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)NCCSSCCNS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=CC=C2
InChI
InChI=1S/C22H22N4O4S4/c27-33(28,19-9-1-5-17-7-3-11-23-21(17)19)25-13-15-31-32-16-14-26-34(29,30)20-10-2-6-18-8-4-12-24-22(18)20/h1-12,25-26H,13-16H2
InChIKey
NPEZKTHSFUYYQD-UHFFFAOYSA-N
Compound name
N-[2-[2-(quinolin-8-ylsulfonylamino)ethyldisulfanyl]ethyl]quinoline-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

534.05237 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05965 215.4
[M+Na]+ 557.04159 221.9
[M-H]- 533.04509 216.2
[M+NH4]+ 552.08619 219.2
[M+K]+ 573.01553 210.0
[M+H-H2O]+ 517.04963 207.8
[M+HCOO]- 579.05057 214.8
[M+CH3COO]- 593.06622 219.2
[M+Na-2H]- 555.02704 228.1
[M]+ 534.05182 217.6
[M]- 534.05292 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.