CID 75481843

Methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate

Structural Information

Molecular Formula
C7H5IN2O2S
SMILES
COC(=O)C1=CN2C(=CN=C2S1)I
InChI
InChI=1S/C7H5IN2O2S/c1-12-6(11)4-3-10-5(8)2-9-7(10)13-4/h2-3H,1H3
InChIKey
VUFXVSOUPSXEJQ-UHFFFAOYSA-N
Compound name
methyl 5-iodoimidazo[2,1-b][1,3]thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.91165 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.918926 142.5
[M+Na]+ 330.900868 148.2
[M-H]- 306.904374 139.6
[M+NH4]+ 325.945473 160.1
[M+K]+ 346.874808 152.2
[M+H-H2O]+ 290.908910 133.9
[M+HCOO]- 352.909851 157.8
[M+CH3COO]- 366.925501 189.0
[M+Na-2H]- 328.886316 133.5
[M]+ 307.91110142 146.8
[M]- 307.91219858 146.8
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.