CID 375286

Nsc654803

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3
InChI
InChI=1S/C18H17N3O3S/c1-23-15-9-5-8-14(11-15)19-16(22)12-25-18-21-20-17(24-18)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3,(H,19,22)
InChIKey
PGSGOGCSHXMIQA-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 181.8
[M+Na]+ 378.08828 189.4
[M-H]- 354.09178 190.1
[M+NH4]+ 373.13288 192.4
[M+K]+ 394.06222 185.5
[M+H-H2O]+ 338.09632 172.3
[M+HCOO]- 400.09726 199.7
[M+CH3COO]- 414.11291 192.3
[M+Na-2H]- 376.07373 183.6
[M]+ 355.09851 187.2
[M]- 355.09961 187.2
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.