CID 375292

Nsc654809

Structural Information

Molecular Formula
C19H19N3O3S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3
InChI
InChI=1S/C19H19N3O3S/c1-2-24-16-11-7-6-10-15(16)20-17(23)13-26-19-22-21-18(25-19)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChIKey
GMJYUFGUSOAYCH-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11472 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12200 186.1
[M+Na]+ 392.10394 193.2
[M-H]- 368.10744 194.2
[M+NH4]+ 387.14854 196.1
[M+K]+ 408.07788 189.1
[M+H-H2O]+ 352.11198 176.4
[M+HCOO]- 414.11292 203.6
[M+CH3COO]- 428.12857 214.4
[M+Na-2H]- 390.08939 187.4
[M]+ 369.11417 191.8
[M]- 369.11527 191.8
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.