CID 1984303

578758-84-6

Structural Information

Molecular Formula
C16H14Cl2N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3
InChI
InChI=1S/C16H14Cl2N4O2S/c1-2-22-15(13-4-3-7-24-13)20-21-16(22)25-9-14(23)19-10-5-6-11(17)12(18)8-10/h3-8H,2,9H2,1H3,(H,19,23)
InChIKey
QKURVIUQBVBWEQ-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.02145 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.02873 189.7
[M+Na]+ 419.01067 204.4
[M+NH4]+ 414.05527 196.5
[M+K]+ 434.98461 198.3
[M-H]- 395.01417 194.7
[M+Na-2H]- 416.99612 196.5
[M]+ 396.02090 194.2
[M]- 396.02200 194.2
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.