CID 3069022

1,3,4-oxadiazole-2(3h)-thione, 3-(((4-methylphenyl)amino)methyl)-5-(4-pyridinyl)-

Structural Information

Molecular Formula
C15H14N4OS
SMILES
CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C15H14N4OS/c1-11-2-4-13(5-3-11)17-10-19-15(21)20-14(18-19)12-6-8-16-9-7-12/h2-9,17H,10H2,1H3
InChIKey
AEQSHNQFYHOPQA-UHFFFAOYSA-N
Compound name
3-[(4-methylanilino)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

298.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09612 166.7
[M+Na]+ 321.07806 182.1
[M+NH4]+ 316.12266 174.4
[M+K]+ 337.05200 174.4
[M-H]- 297.08156 173.3
[M+Na-2H]- 319.06351 176.0
[M]+ 298.08829 171.3
[M]- 298.08939 171.3
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.