CID 465360

N-benzyl-2-[[2-(benzylcarbamoyl)phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C28H24N2O2S2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C28H24N2O2S2/c31-27(29-19-21-11-3-1-4-12-21)23-15-7-9-17-25(23)33-34-26-18-10-8-16-24(26)28(32)30-20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKey
XZDBSAMHJHMDEW-UHFFFAOYSA-N
Compound name
N-benzyl-2-[[2-(benzylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

484.12793 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.13521 212.4
[M+Na]+ 507.11715 215.9
[M-H]- 483.12065 222.7
[M+NH4]+ 502.16175 218.7
[M+K]+ 523.09109 206.7
[M+H-H2O]+ 467.12519 201.7
[M+HCOO]- 529.12613 225.0
[M+CH3COO]- 543.14178 218.8
[M+Na-2H]- 505.10260 213.5
[M]+ 484.12738 213.2
[M]- 484.12848 213.2
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.