CID 375287

Nsc654804

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₃S

SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-23-15-9-7-14(8-10-15)19-16(22)12-25-18-21-20-17(24-18)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)

InChIKey

AGWZJFKRLCZWNA-UHFFFAOYSA-N

Compound name

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.09906 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.106336	181.8
[M+Na]+	378.088278	189.4
[M-H]-	354.091784	190.1
[M+NH4]+	373.132883	192.4
[M+K]+	394.062218	185.5
[M+H-H2O]+	338.096320	172.3
[M+HCOO]-	400.097261	199.7
[M+CH3COO]-	414.112911	192.3
[M+Na-2H]-	376.073726	183.6
[M]+	355.09851142	187.2
[M]-	355.09960858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.