CID 67271

135-57-9

Structural Information

Molecular Formula
C26H20N2O2S2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
InChIKey
ZHMIOPLMFZVSHY-UHFFFAOYSA-N
Compound name
N-[2-[(2-benzamidophenyl)disulfanyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1298
Patents

456.09662 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10390 199.5
[M+Na]+ 479.08584 214.0
[M+NH4]+ 474.13044 207.9
[M+K]+ 495.05978 201.0
[M-H]- 455.08934 209.5
[M+Na-2H]- 477.07129 212.8
[M]+ 456.09607 205.5
[M]- 456.09717 205.5
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