CID 457470

50383-29-4

Structural Information

Molecular Formula
C26H18Cl2N2O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2Cl)SSC3=CC=CC=C3C(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C26H18Cl2N2O2S2/c27-19-11-3-5-13-21(19)29-25(31)17-9-1-7-15-23(17)33-34-24-16-8-2-10-18(24)26(32)30-22-14-6-4-12-20(22)28/h1-16H,(H,29,31)(H,30,32)
InChIKey
QSFBOPNUGWYAHB-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[[2-[(2-chlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

524.0187 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.02598 213.7
[M+Na]+ 547.00792 220.4
[M-H]- 523.01142 224.8
[M+NH4]+ 542.05252 220.8
[M+K]+ 562.98186 210.6
[M+H-H2O]+ 507.01596 205.7
[M+HCOO]- 569.01690 218.0
[M+CH3COO]- 583.03255 220.8
[M+Na-2H]- 544.99337 213.8
[M]+ 524.01815 219.2
[M]- 524.01925 219.2
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