CID 468885

2-[2-[[2-[2-oxo-2-(4-sulfamoylanilino)ethyl]phenyl]disulfanyl]phenyl]-n-(4-sulfamoylphenyl)acetamide

Structural Information

Molecular Formula
C28H26N4O6S4
SMILES
C1=CC=C(C(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=C3CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C28H26N4O6S4/c29-41(35,36)23-13-9-21(10-14-23)31-27(33)17-19-5-1-3-7-25(19)39-40-26-8-4-2-6-20(26)18-28(34)32-22-11-15-24(16-12-22)42(30,37)38/h1-16H,17-18H2,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)
InChIKey
VYPNCUVNHVMGLU-UHFFFAOYSA-N
Compound name
2-[2-[[2-[2-oxo-2-(4-sulfamoylanilino)ethyl]phenyl]disulfanyl]phenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

642.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.08083 241.4
[M+Na]+ 665.06277 241.9
[M-H]- 641.06627 245.7
[M+NH4]+ 660.10737 238.9
[M+K]+ 681.03671 230.1
[M+H-H2O]+ 625.07081 230.8
[M+HCOO]- 687.07175 241.0
[M+CH3COO]- 701.08740 262.5
[M+Na-2H]- 663.04822 249.3
[M]+ 642.07300 237.8
[M]- 642.07410 237.8
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.