CID 3005520

5-pyrazin-2-yl-3-(thiazol-4-ylaminomethyl)-3h-[1,3,4]oxadiazole-2-thione

Structural Information

Molecular Formula
C10H8N6OS2
SMILES
C1=CN=C(C=N1)C2=NN(C(=S)O2)CNC3=CSC=N3
InChI
InChI=1S/C10H8N6OS2/c18-10-16(5-13-8-4-19-6-14-8)15-9(17-10)7-3-11-1-2-12-7/h1-4,6,13H,5H2
InChIKey
DUHSKIYARQFFGI-UHFFFAOYSA-N
Compound name
5-pyrazin-2-yl-3-[(1,3-thiazol-4-ylamino)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0201 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02738 157.3
[M+Na]+ 315.00932 171.8
[M-H]- 291.01282 163.9
[M+NH4]+ 310.05392 169.9
[M+K]+ 330.98326 166.5
[M+H-H2O]+ 275.01736 150.1
[M+HCOO]- 337.01830 172.1
[M+CH3COO]- 351.03395 170.1
[M+Na-2H]- 312.99477 158.8
[M]+ 292.01955 162.8
[M]- 292.02065 162.8
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.