CID 3069020

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

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
COC1=CC=CC=C1NCN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C15H14N4O2S/c1-20-13-5-3-2-4-12(13)17-10-19-15(22)21-14(18-19)11-6-8-16-9-7-11/h2-9,17H,10H2,1H3
InChIKey
BIOVDCNBIAHGEN-UHFFFAOYSA-N
Compound name
3-[(2-methoxyanilino)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

314.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 170.1
[M+Na]+ 337.07296 185.0
[M+NH4]+ 332.11756 177.2
[M+K]+ 353.04690 177.8
[M-H]- 313.07646 176.2
[M+Na-2H]- 335.05841 179.0
[M]+ 314.08319 174.4
[M]- 314.08429 174.4
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.