CID 6481930

2-(2,4-dichlorophenoxy)-n-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C13H9Cl2N3O2S2
SMILES
C#CCSC1=NN=C(S1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2N3O2S2/c1-2-5-21-13-18-17-12(22-13)16-11(19)7-20-10-4-3-8(14)6-9(10)15/h1,3-4,6H,5,7H2,(H,16,17,19)
InChIKey
PMVUZTPNJWHCNB-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.95132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.95860 182.2
[M+Na]+ 395.94054 194.4
[M-H]- 371.94404 185.1
[M+NH4]+ 390.98514 194.2
[M+K]+ 411.91448 187.0
[M+H-H2O]+ 355.94858 170.4
[M+HCOO]- 417.94952 181.4
[M+CH3COO]- 431.96517 190.5
[M+Na-2H]- 393.92599 179.0
[M]+ 372.95077 183.4
[M]- 372.95187 183.4
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.