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

7
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

literature stripe

Patent stripe

patents stripe