CID 1180480

338976-44-6

Structural Information

Molecular Formula
C9H10N2OS2
SMILES
CC(C)SC1=C(N2C=CSC2=N1)C=O
InChI
InChI=1S/C9H10N2OS2/c1-6(2)14-8-7(5-12)11-3-4-13-9(11)10-8/h3-6H,1-2H3
InChIKey
JHGLXTWLUWCGQI-UHFFFAOYSA-N
Compound name
6-propan-2-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

226.02345 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03073 146.5
[M+Na]+ 249.01267 159.4
[M-H]- 225.01617 150.2
[M+NH4]+ 244.05727 168.6
[M+K]+ 264.98661 156.0
[M+H-H2O]+ 209.02071 141.9
[M+HCOO]- 271.02165 160.4
[M+CH3COO]- 285.03730 160.5
[M+Na-2H]- 246.99812 145.6
[M]+ 226.02290 154.1
[M]- 226.02400 154.1
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

patents stripe