CID 375285

Nsc654802

Structural Information

Molecular Formula
C18H17N3O2S
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3
InChI
InChI=1S/C18H17N3O2S/c1-13-7-9-15(10-8-13)19-16(22)12-24-18-21-20-17(23-18)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKey
OMLIGEGEEIZZAX-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.10416 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11144 178.9
[M+Na]+ 362.09338 186.8
[M-H]- 338.09688 187.2
[M+NH4]+ 357.13798 190.3
[M+K]+ 378.06732 182.2
[M+H-H2O]+ 322.10142 169.6
[M+HCOO]- 384.10236 196.6
[M+CH3COO]- 398.11801 189.6
[M+Na-2H]- 360.07883 180.5
[M]+ 339.10361 183.0
[M]- 339.10471 183.0
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.