CID 457465

2,2'-dithiobis(n-cyclohexylbenzamide)

Structural Information

Molecular Formula
C26H32N2O2S2
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4CCCCC4
InChI
InChI=1S/C26H32N2O2S2/c29-25(27-19-11-3-1-4-12-19)21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)26(30)28-20-13-5-2-6-14-20/h7-10,15-20H,1-6,11-14H2,(H,27,29)(H,28,30)
InChIKey
SEMMGGLNXCKMDE-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-[[2-(cyclohexylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

468.19052 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19780 205.3
[M+Na]+ 491.17974 203.5
[M-H]- 467.18324 213.3
[M+NH4]+ 486.22434 211.8
[M+K]+ 507.15368 196.2
[M+H-H2O]+ 451.18778 195.4
[M+HCOO]- 513.18872 210.4
[M+CH3COO]- 527.20437 209.6
[M+Na-2H]- 489.16519 202.5
[M]+ 468.18997 197.9
[M]- 468.19107 197.9
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.