CID 487673

3-(dimethylaminomethyl)-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C10H12N4OS
SMILES
CN(C)CN1C(=S)OC(=N1)C2=CC=NC=C2
InChI
InChI=1S/C10H12N4OS/c1-13(2)7-14-10(16)15-9(12-14)8-3-5-11-6-4-8/h3-6H,7H2,1-2H3
InChIKey
OQNRQABHWWBFDI-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07318 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08046 150.4
[M+Na]+ 259.06240 161.0
[M-H]- 235.06590 156.3
[M+NH4]+ 254.10700 166.0
[M+K]+ 275.03634 158.9
[M+H-H2O]+ 219.07044 142.0
[M+HCOO]- 281.07138 169.1
[M+CH3COO]- 295.08703 163.7
[M+Na-2H]- 257.04785 153.4
[M]+ 236.07263 155.2
[M]- 236.07373 155.2
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.