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]+ 237.080456 150.4
[M+Na]+ 259.062398 161.0
[M-H]- 235.065904 156.3
[M+NH4]+ 254.107003 166.0
[M+K]+ 275.036338 158.9
[M+H-H2O]+ 219.070440 142.0
[M+HCOO]- 281.071381 169.1
[M+CH3COO]- 295.087031 163.7
[M+Na-2H]- 257.047846 153.4
[M]+ 236.07263142 155.2
[M]- 236.07372858 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.