CID 1891512

618432-05-6

Structural Information

Molecular Formula
C17H13Cl2N3OS3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3OS3/c18-13-7-6-12(8-14(13)19)20-15(23)10-25-17-22-21-16(26-17)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,23)
InChIKey
JVIMYEZENJKGFX-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.95978 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.96706 189.3
[M+Na]+ 463.94900 199.3
[M-H]- 439.95250 195.9
[M+NH4]+ 458.99360 200.3
[M+K]+ 479.92294 189.4
[M+H-H2O]+ 423.95704 183.6
[M+HCOO]- 485.95798 187.9
[M+CH3COO]- 499.97363 197.9
[M+Na-2H]- 461.93445 187.7
[M]+ 440.95923 194.7
[M]- 440.96033 194.7
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.