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

69
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 117.8
[M+Na]+ 148.98923 131.5
[M-H]- 124.99274 118.9
[M+NH4]+ 144.03384 140.4
[M+K]+ 164.96317 130.3
[M+H-H2O]+ 108.99728 111.2
[M+HCOO]- 170.99822 137.3
[M+CH3COO]- 185.01387 133.3
[M+Na-2H]- 146.97468 123.7
[M]+ 125.99947 122.2
[M]- 126.00056 122.2
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