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]+ 308.91893 142.5
[M+Na]+ 330.90087 148.2
[M-H]- 306.90437 139.6
[M+NH4]+ 325.94547 160.1
[M+K]+ 346.87481 152.2
[M+H-H2O]+ 290.90891 133.9
[M+HCOO]- 352.90985 157.8
[M+CH3COO]- 366.92550 189.0
[M+Na-2H]- 328.88632 133.5
[M]+ 307.91110 146.8
[M]- 307.91220 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.