CID 1801900

2-{[3-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-n-(4-phenyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C24H18N6O2S5
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NSC(=N3)SCC(=O)NC4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C24H18N6O2S5/c31-19(27-21-25-17(11-33-21)15-7-3-1-4-8-15)13-35-23-29-24(37-30-23)36-14-20(32)28-22-26-18(12-34-22)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,25,27,31)(H,26,28,32)
InChIKey
DBHKIBLWFHXEAN-UHFFFAOYSA-N
Compound name
2-[[5-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.00946 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.01674 200.4
[M+Na]+ 604.99868 210.6
[M+NH4]+ 600.04328 206.6
[M+K]+ 620.97262 201.6
[M-H]- 581.00218 207.7
[M+Na-2H]- 602.98413 208.8
[M]+ 582.00891 205.7
[M]- 582.01001 205.7
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.