CID 6863321

315201-05-9

Structural Information

Molecular Formula
C18H15ClN4OS3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15ClN4OS3/c19-15-8-6-13(7-9-15)10-20-21-16(24)12-26-18-23-22-17(27-18)25-11-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,21,24)/b20-10+
InChIKey
FFIGCCNBAOFNJE-KEBDBYFISA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.00964 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.01692 189.7
[M+Na]+ 456.99886 201.9
[M+NH4]+ 452.04346 197.7
[M+K]+ 472.97280 189.6
[M-H]- 433.00236 196.0
[M+Na-2H]- 454.98431 197.9
[M]+ 434.00909 194.8
[M]- 434.01019 194.8
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.