CID 71778031

1864073-35-7

Structural Information

Molecular Formula
C14H17N3OS
SMILES
C1CC(CNC1)CSC2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3OS/c1-2-6-12(7-3-1)13-16-17-14(18-13)19-10-11-5-4-8-15-9-11/h1-3,6-7,11,15H,4-5,8-10H2
InChIKey
MTORSMMEBFVSEZ-UHFFFAOYSA-N
Compound name
2-phenyl-5-(piperidin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 160.7
[M+Na]+ 298.09844 167.2
[M-H]- 274.10194 165.2
[M+NH4]+ 293.14304 172.7
[M+K]+ 314.07238 162.8
[M+H-H2O]+ 258.10648 151.6
[M+HCOO]- 320.10742 172.4
[M+CH3COO]- 334.12307 170.7
[M+Na-2H]- 296.08389 161.6
[M]+ 275.10867 158.2
[M]- 275.10977 158.2
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.