CID 465347

N-methyl-2-[[2-[methyl-(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]-n-(4-sulfamoylphenyl)benzamide

Structural Information

Molecular Formula
C28H26N4O6S4
SMILES
CN(C1=CC=C(C=C1)S(=O)(=O)N)C(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N(C)C4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C28H26N4O6S4/c1-31(19-11-15-21(16-12-19)41(29,35)36)27(33)23-7-3-5-9-25(23)39-40-26-10-6-4-8-24(26)28(34)32(2)20-13-17-22(18-14-20)42(30,37)38/h3-18H,1-2H3,(H2,29,35,36)(H2,30,37,38)
InChIKey
OWHMKMFYZLYHRT-UHFFFAOYSA-N
Compound name
N-methyl-2-[[2-[methyl-(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]-N-(4-sulfamoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

642.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.08083 245.2
[M+Na]+ 665.06277 245.6
[M-H]- 641.06627 252.2
[M+NH4]+ 660.10737 243.7
[M+K]+ 681.03671 236.7
[M+H-H2O]+ 625.07081 234.3
[M+HCOO]- 687.07175 245.3
[M+CH3COO]- 701.08740 267.2
[M+Na-2H]- 663.04822 252.1
[M]+ 642.07300 243.9
[M]- 642.07410 243.9
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.