CID 487667

84249-74-1

Structural Information

Molecular Formula
C14H12N4OS
SMILES
C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H12N4OS/c20-14-18(10-16-12-4-2-1-3-5-12)17-13(19-14)11-6-8-15-9-7-11/h1-9,16H,10H2
InChIKey
ILZNZLJXRVKFNZ-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07318 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 161.5
[M+Na]+ 307.06240 176.8
[M+NH4]+ 302.10700 169.4
[M+K]+ 323.03634 169.1
[M-H]- 283.06590 168.1
[M+Na-2H]- 305.04785 171.4
[M]+ 284.07263 166.1
[M]- 284.07373 166.1
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.