CID 868205

6-(4-iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C12H9IN2S
SMILES
CC1=CN2C=C(N=C2S1)C3=CC=C(C=C3)I
InChI
InChI=1S/C12H9IN2S/c1-8-6-15-7-11(14-12(15)16-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKey
JEWGDXRBUBAMFY-UHFFFAOYSA-N
Compound name
6-(4-iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

339.95312 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.96040 149.7
[M+Na]+ 362.94234 156.1
[M-H]- 338.94584 149.6
[M+NH4]+ 357.98694 166.3
[M+K]+ 378.91628 157.3
[M+H-H2O]+ 322.95038 140.2
[M+HCOO]- 384.95132 165.5
[M+CH3COO]- 398.96697 160.3
[M+Na-2H]- 360.92779 140.9
[M]+ 339.95257 152.4
[M]- 339.95367 152.4
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