CID 465327

2,2'-dithiobis[n-(4-methylphenyl)benzamide]

Structural Information

Molecular Formula
C28H24N2O2S2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C
InChI
InChI=1S/C28H24N2O2S2/c1-19-11-15-21(16-12-19)29-27(31)23-7-3-5-9-25(23)33-34-26-10-6-4-8-24(26)28(32)30-22-17-13-20(2)14-18-22/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKey
JDHNCLDEYURQLY-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

484.12793 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.13521 213.9
[M+Na]+ 507.11715 218.8
[M-H]- 483.12065 224.9
[M+NH4]+ 502.16175 220.6
[M+K]+ 523.09109 209.8
[M+H-H2O]+ 467.12519 203.2
[M+HCOO]- 529.12613 226.2
[M+CH3COO]- 543.14178 220.8
[M+Na-2H]- 505.10260 213.5
[M]+ 484.12738 215.5
[M]- 484.12848 215.5
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.