CID 418344

1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C3H2N4S
SMILES
C1=NN=C2N1N=CS2
InChI
InChI=1S/C3H2N4S/c1-4-6-3-7(1)5-2-8-3/h1-2H
InChIKey
GNSPINPIWPZMKW-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

57
Patents

126.000015 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00729 119.4
[M+Na]+ 148.98923 132.1
[M+NH4]+ 144.03384 128.3
[M+K]+ 164.96317 128.1
[M-H]- 124.99274 119.4
[M+Na-2H]- 146.97468 125.4
[M]+ 125.99947 121.6
[M]- 126.00056 121.6
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

patents stripe