CID 339335

83626-67-9

Structural Information

Molecular Formula
C16H22N4O4S4
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H22N4O4S4/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,9-12,17-18H2
InChIKey
BZLNVVPROHZNJT-UHFFFAOYSA-N
Compound name
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

462.0524 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.05968 200.8
[M+Na]+ 485.04162 203.4
[M-H]- 461.04512 200.5
[M+NH4]+ 480.08622 205.9
[M+K]+ 501.01556 190.6
[M+H-H2O]+ 445.04966 191.2
[M+HCOO]- 507.05060 201.7
[M+CH3COO]- 521.06625 232.4
[M+Na-2H]- 483.02707 206.8
[M]+ 462.05185 196.7
[M]- 462.05295 196.7
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

patents stripe