CID 375293

2-((5-benzyl-1,3,4-oxadiazol-2-yl)thio)-n-(2,4-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)C
InChI
InChI=1S/C19H19N3O2S/c1-13-8-9-16(14(2)10-13)20-17(23)12-25-19-22-21-18(24-19)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKey
NAUARTPFUAAXPV-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

353.1198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 183.9
[M+Na]+ 376.109018 192.2
[M-H]- 352.112524 192.4
[M+NH4]+ 371.153623 195.1
[M+K]+ 392.082958 187.4
[M+H-H2O]+ 336.117060 174.6
[M+HCOO]- 398.118001 201.2
[M+CH3COO]- 412.133651 194.5
[M+Na-2H]- 374.094466 184.2
[M]+ 353.11925142 188.7
[M]- 353.12034858 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.