CID 457463

2,2'-dithiobis(n-(4-piperidinylmethyl)benzamide)

Structural Information

Molecular Formula
C26H34N4O2S2
SMILES
C1CNCCC1CNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NCC4CCNCC4
InChI
InChI=1S/C26H34N4O2S2/c31-25(29-17-19-9-13-27-14-10-19)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)30-18-20-11-15-28-16-12-20/h1-8,19-20,27-28H,9-18H2,(H,29,31)(H,30,32)
InChIKey
BAYQOIMFEVCLFD-UHFFFAOYSA-N
Compound name
N-(piperidin-4-ylmethyl)-2-[[2-(piperidin-4-ylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

498.2123 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.21958 206.1
[M+Na]+ 521.20152 203.5
[M-H]- 497.20502 208.9
[M+NH4]+ 516.24612 207.5
[M+K]+ 537.17546 194.3
[M+H-H2O]+ 481.20956 195.9
[M+HCOO]- 543.21050 206.2
[M+CH3COO]- 557.22615 208.1
[M+Na-2H]- 519.18697 203.9
[M]+ 498.21175 196.3
[M]- 498.21285 196.3
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

No patent data available for this compound.