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

literature stripe

Patent stripe

patents stripe