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]+ 354.12708 183.9
[M+Na]+ 376.10902 192.2
[M-H]- 352.11252 192.4
[M+NH4]+ 371.15362 195.1
[M+K]+ 392.08296 187.4
[M+H-H2O]+ 336.11706 174.6
[M+HCOO]- 398.11800 201.2
[M+CH3COO]- 412.13365 194.5
[M+Na-2H]- 374.09447 184.2
[M]+ 353.11925 188.7
[M]- 353.12035 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.