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

literature stripe

Patent stripe

patents stripe