CID 375290

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

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H14ClN3O2S/c18-13-7-4-8-14(10-13)19-15(22)11-24-17-21-20-16(23-17)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,22)
InChIKey
HRJPMEAENISKTQ-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.05681 181.2
[M+Na]+ 382.03875 190.1
[M-H]- 358.04225 189.5
[M+NH4]+ 377.08335 192.6
[M+K]+ 398.01269 184.4
[M+H-H2O]+ 342.04679 172.4
[M+HCOO]- 404.04773 194.4
[M+CH3COO]- 418.06338 191.8
[M+Na-2H]- 380.02420 182.7
[M]+ 359.04898 187.0
[M]- 359.05008 187.0
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.