CID 2761149

849925-03-7

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCNCC3
InChI
InChI=1S/C14H17N3O3S/c1-21(18,19)12-4-2-10(3-5-12)13-16-14(20-17-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKey
OPQYOULELHGKEU-UHFFFAOYSA-N
Compound name
3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.09906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10634 169.3
[M+Na]+ 330.08828 177.0
[M-H]- 306.09178 174.6
[M+NH4]+ 325.13288 180.1
[M+K]+ 346.06222 173.1
[M+H-H2O]+ 290.09632 161.0
[M+HCOO]- 352.09726 180.0
[M+CH3COO]- 366.11291 179.3
[M+Na-2H]- 328.07373 170.7
[M]+ 307.09851 168.1
[M]- 307.09961 168.1
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

patents stripe