CID 471787

Chembl169224

Structural Information

Molecular Formula
C32H24N6O6S6
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)SSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CS6
InChI
InChI=1S/C32H24N6O6S6/c39-29(35-21-9-13-23(14-10-21)49(41,42)37-31-33-17-19-45-31)25-5-1-3-7-27(25)47-48-28-8-4-2-6-26(28)30(40)36-22-11-15-24(16-12-22)50(43,44)38-32-34-18-20-46-32/h1-20H,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKey
CKIXKJGZIADGAK-UHFFFAOYSA-N
Compound name
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[[2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

780.0082 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.01548 270.3
[M+Na]+ 802.99742 274.6
[M-H]- 779.00092 276.5
[M+NH4]+ 798.04202 265.6
[M+K]+ 818.97136 260.3
[M+H-H2O]+ 763.00546 265.6
[M+HCOO]- 825.00640 265.5
[M+CH3COO]- 839.02205 268.7
[M+Na-2H]- 800.98287 284.5
[M]+ 780.00765 263.5
[M]- 780.00875 263.5
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.