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]+ 182.038266 134.9
[M+Na]+ 204.020208 149.4
[M-H]- 180.023714 137.8
[M+NH4]+ 199.064813 157.3
[M+K]+ 219.994148 146.8
[M+H-H2O]+ 164.028250 129.3
[M+HCOO]- 226.029191 154.6
[M+CH3COO]- 240.044841 150.2
[M+Na-2H]- 202.005656 137.1
[M]+ 181.03044142 142.0
[M]- 181.03153858 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.