CID 321612

Nsc273900

Structural Information

Molecular Formula
C18H24N2O6S4
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H24N2O6S4/c1-25-15-3-7-17(8-4-15)29(21,22)19-11-13-27-28-14-12-20-30(23,24)18-9-5-16(26-2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKey
YVFZILGGKWJJBS-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.05173 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05901 212.9
[M+Na]+ 515.04095 215.7
[M-H]- 491.04445 214.1
[M+NH4]+ 510.08555 218.1
[M+K]+ 531.01489 204.9
[M+H-H2O]+ 475.04899 203.4
[M+HCOO]- 537.04993 213.7
[M+CH3COO]- 551.06558 232.8
[M+Na-2H]- 513.02640 218.3
[M]+ 492.05118 215.2
[M]- 492.05228 215.2
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

No patent data available for this compound.