CID 270719

Nsc113443

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CCOC(=O)C1=NN2C(=NN=C2S1)C
InChI
InChI=1S/C7H8N4O2S/c1-3-13-6(12)5-10-11-4(2)8-9-7(11)14-5/h3H2,1-2H3
InChIKey
UVDALWNREHBFFC-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 142.8
[M+Na]+ 235.02602 155.9
[M-H]- 211.02952 144.2
[M+NH4]+ 230.07062 162.2
[M+K]+ 250.99996 154.3
[M+H-H2O]+ 195.03406 136.3
[M+HCOO]- 257.03500 160.5
[M+CH3COO]- 271.05065 183.5
[M+Na-2H]- 233.01147 144.6
[M]+ 212.03625 150.7
[M]- 212.03735 150.7
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.