CID 468892

N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C28H24N2O6S4
SMILES
CS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=CC=C4S(=O)(=O)C
InChI
InChI=1S/C28H24N2O6S4/c1-39(33,34)25-17-9-5-13-21(25)29-27(31)19-11-3-7-15-23(19)37-38-24-16-8-4-12-20(24)28(32)30-22-14-6-10-18-26(22)40(2,35)36/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKey
DZKKUYCDPDRODR-UHFFFAOYSA-N
Compound name
N-(2-methylsulfonylphenyl)-2-[[2-[(2-methylsulfonylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

612.0517 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.05898 241.2
[M+Na]+ 635.04092 244.0
[M-H]- 611.04442 247.8
[M+NH4]+ 630.08552 241.3
[M+K]+ 651.01486 232.9
[M+H-H2O]+ 595.04896 231.1
[M+HCOO]- 657.04990 240.7
[M+CH3COO]- 671.06555 253.4
[M+Na-2H]- 633.02637 247.3
[M]+ 612.05115 240.8
[M]- 612.05225 240.8
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.