CID 25227263

Tta-3

Structural Information

Molecular Formula
C16H10Cl3N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl3N3OS2/c17-9-5-6-10(12(19)7-9)15-16(25-22-21-15)24-8-14(23)20-13-4-2-1-3-11(13)18/h1-7H,8H2,(H,20,23)
InChIKey
IOUNGFDUDUBFGX-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)thiadiazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

428.93307 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.94035 187.5
[M+Na]+ 451.92229 198.2
[M-H]- 427.92579 194.1
[M+NH4]+ 446.96689 199.1
[M+K]+ 467.89623 189.8
[M+H-H2O]+ 411.93033 181.5
[M+HCOO]- 473.93127 186.2
[M+CH3COO]- 487.94692 196.6
[M+Na-2H]- 449.90774 184.8
[M]+ 428.93252 193.7
[M]- 428.93362 193.7
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