CID 6483546

Schembl6226583

Structural Information

Molecular Formula
C28H26N4O6S4
SMILES
CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C28H26N4O6S4/c1-17-3-13-25(23(15-17)27(33)31-19-5-9-21(10-6-19)41(29,35)36)39-40-26-14-4-18(2)16-24(26)28(34)32-20-7-11-22(12-8-20)42(30,37)38/h3-16H,1-2H3,(H,31,33)(H,32,34)(H2,29,35,36)(H2,30,37,38)
InChIKey
FEBFFIIRPGXAHU-UHFFFAOYSA-N
Compound name
5-methyl-2-[[4-methyl-2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]-N-(4-sulfamoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

642.07355 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.08083 242.7
[M+Na]+ 665.06277 244.1
[M-H]- 641.06627 247.5
[M+NH4]+ 660.10737 240.5
[M+K]+ 681.03671 232.6
[M+H-H2O]+ 625.07081 232.2
[M+HCOO]- 687.07175 242.0
[M+CH3COO]- 701.08740 265.1
[M+Na-2H]- 663.04822 249.5
[M]+ 642.07300 239.9
[M]- 642.07410 239.9
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.