CID 6481929

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

Structural Information

Molecular Formula
C13H10ClN3O2S2
SMILES
C#CCSC1=NN=C(S1)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClN3O2S2/c1-2-7-20-13-17-16-12(21-13)15-11(18)8-19-10-5-3-9(14)4-6-10/h1,3-6H,7-8H2,(H,15,16,18)
InChIKey
UYAYWWSHTAUJCL-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-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

338.9903 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.99758 177.6
[M+Na]+ 361.97952 189.1
[M-H]- 337.98302 180.5
[M+NH4]+ 357.02412 190.2
[M+K]+ 377.95346 182.4
[M+H-H2O]+ 321.98756 164.7
[M+HCOO]- 383.98850 181.2
[M+CH3COO]- 398.00415 186.3
[M+Na-2H]- 359.96497 175.5
[M]+ 338.98975 177.8
[M]- 338.99085 177.8
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.