CID 497677

3-(diethylaminomethyl)-5-pyrazin-2-yl-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C11H15N5OS
SMILES
CCN(CC)CN1C(=S)OC(=N1)C2=NC=CN=C2
InChI
InChI=1S/C11H15N5OS/c1-3-15(4-2)8-16-11(18)17-10(14-16)9-7-12-5-6-13-9/h5-7H,3-4,8H2,1-2H3
InChIKey
XRZYOBPHSKGFJI-UHFFFAOYSA-N
Compound name
3-(diethylaminomethyl)-5-pyrazin-2-yl-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10701 159.0
[M+Na]+ 288.08895 169.2
[M-H]- 264.09245 163.3
[M+NH4]+ 283.13355 172.0
[M+K]+ 304.06289 166.6
[M+H-H2O]+ 248.09699 149.7
[M+HCOO]- 310.09793 176.0
[M+CH3COO]- 324.11358 199.5
[M+Na-2H]- 286.07440 161.3
[M]+ 265.09918 164.5
[M]- 265.10028 164.5
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.