CID 5273434

5-[(1-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3h-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C8H11N5OS
SMILES
CCN1C(=NC(=N1)CC2=NNC(=S)O2)C
InChI
InChI=1S/C8H11N5OS/c1-3-13-5(2)9-6(12-13)4-7-10-11-8(15)14-7/h3-4H2,1-2H3,(H,11,15)
InChIKey
NVPYEPMJUAIUAV-UHFFFAOYSA-N
Compound name
5-[(1-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.06844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07572 146.9
[M+Na]+ 248.05766 160.9
[M-H]- 224.06116 148.8
[M+NH4]+ 243.10226 161.7
[M+K]+ 264.03160 157.3
[M+H-H2O]+ 208.06570 139.5
[M+HCOO]- 270.06664 163.0
[M+CH3COO]- 284.08229 160.1
[M+Na-2H]- 246.04311 147.1
[M]+ 225.06789 152.4
[M]- 225.06899 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.