CID 3069026

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

Structural Information

Molecular Formula
C14H11ClN4OS
SMILES
C1=CC(=CC=C1NCN2C(=S)OC(=N2)C3=CC=NC=C3)Cl
InChI
InChI=1S/C14H11ClN4OS/c15-11-1-3-12(4-2-11)17-9-19-14(21)20-13(18-19)10-5-7-16-8-6-10/h1-8,17H,9H2
InChIKey
LJNWXOGQFQQRFX-UHFFFAOYSA-N
Compound name
3-[(4-chloroanilino)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

318.0342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04148 169.5
[M+Na]+ 341.02342 185.9
[M+NH4]+ 336.06802 177.6
[M+K]+ 356.99736 177.4
[M-H]- 317.02692 176.2
[M+Na-2H]- 339.00887 179.1
[M]+ 318.03365 174.6
[M]- 318.03475 174.6
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.