CID 834991

Chembl1917129

Structural Information

Molecular Formula
C14H16N4OS2
SMILES
C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C3=NNC(=S)O3
InChI
InChI=1S/C14H16N4OS2/c20-13(18-8-2-1-3-9-18)15-11-6-4-10(5-7-11)12-16-17-14(21)19-12/h4-7H,1-3,8-9H2,(H,15,20)(H,17,21)
InChIKey
GINHRRORVKWFMO-UHFFFAOYSA-N
Compound name
N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.07657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08385 169.3
[M+Na]+ 343.06579 176.8
[M-H]- 319.06929 174.1
[M+NH4]+ 338.11039 180.0
[M+K]+ 359.03973 170.3
[M+H-H2O]+ 303.07383 161.7
[M+HCOO]- 365.07477 176.3
[M+CH3COO]- 379.09042 178.4
[M+Na-2H]- 341.05124 168.0
[M]+ 320.07602 165.7
[M]- 320.07712 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.