CID 465354

2,2'-dithiobis(n-1,3-thiazol-2-ylbenzamide)

Structural Information

Molecular Formula
C20H14N4O2S4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC=CS2)SSC3=CC=CC=C3C(=O)NC4=NC=CS4
InChI
InChI=1S/C20H14N4O2S4/c25-17(23-19-21-9-11-27-19)13-5-1-3-7-15(13)29-30-16-8-4-2-6-14(16)18(26)24-20-22-10-12-28-20/h1-12H,(H,21,23,25)(H,22,24,26)
InChIKey
QDLYUWDOVVNLSA-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)-2-[[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.99997 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.00725 202.8
[M+Na]+ 492.98919 212.8
[M-H]- 468.99269 211.8
[M+NH4]+ 488.03379 212.2
[M+K]+ 508.96313 202.2
[M+H-H2O]+ 452.99723 197.2
[M+HCOO]- 514.99817 208.3
[M+CH3COO]- 529.01382 210.5
[M+Na-2H]- 490.97464 203.9
[M]+ 469.99942 204.3
[M]- 470.00052 204.3
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.