CID 10749912

2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=C(N2C(=N1)SC(=N2)C)C=O
InChI
InChI=1S/C7H7N3OS/c1-4-6(3-11)10-7(8-4)12-5(2)9-10/h3H,1-2H3
InChIKey
ZJJUIACYGXTGNM-UHFFFAOYSA-N
Compound name
2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03099 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 134.9
[M+Na]+ 204.02021 149.4
[M-H]- 180.02371 137.8
[M+NH4]+ 199.06481 157.3
[M+K]+ 219.99415 146.8
[M+H-H2O]+ 164.02825 129.3
[M+HCOO]- 226.02919 154.6
[M+CH3COO]- 240.04484 150.2
[M+Na-2H]- 202.00566 137.1
[M]+ 181.03044 142.0
[M]- 181.03154 142.0
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.