CID 57497695

Methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate

Structural Information

Molecular Formula
C9H7IN2O2
SMILES
COC(=O)C1=CC2=NC=C(N2C=C1)I
InChI
InChI=1S/C9H7IN2O2/c1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6/h2-5H,1H3
InChIKey
HSKJTLBZTWHLIR-UHFFFAOYSA-N
Compound name
methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

301.95523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96251 147.6
[M+Na]+ 324.94445 153.3
[M+NH4]+ 319.98905 151.0
[M+K]+ 340.91839 152.5
[M-H]- 300.94795 142.0
[M+Na-2H]- 322.92990 141.0
[M]+ 301.95468 145.7
[M]- 301.95578 145.7
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