CID 471798

Chembl168321

Structural Information

Molecular Formula
C30H28N6O8S4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=C3C(=O)NCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C30H28N6O8S4/c31-47(41,42)21-13-9-19(10-14-21)35-27(37)17-33-29(39)23-5-1-3-7-25(23)45-46-26-8-4-2-6-24(26)30(40)34-18-28(38)36-20-11-15-22(16-12-20)48(32,43)44/h1-16H,17-18H2,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H2,31,41,42)(H2,32,43,44)
InChIKey
WZYDLAHWNUBEBK-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-(4-sulfamoylanilino)ethyl]-2-[[2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

728.08514 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.09242 251.3
[M+Na]+ 751.07436 247.0
[M-H]- 727.07786 253.9
[M+NH4]+ 746.11896 244.0
[M+K]+ 767.04830 237.8
[M+H-H2O]+ 711.08240 240.1
[M+HCOO]- 773.08334 250.3
[M+CH3COO]- 787.09899 280.7
[M+Na-2H]- 749.05981 287.8
[M]+ 728.08459 309.6
[M]- 728.08569 309.6
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.