CID 57355243

8-(benzyloxy)-3-iodoimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C14H11IN2O
SMILES
C1=CC=C(C=C1)COC2=CC=CN3C2=NC=C3I
InChI
InChI=1S/C14H11IN2O/c15-13-9-16-14-12(7-4-8-17(13)14)18-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
AKJCFRKLPAJOHF-UHFFFAOYSA-N
Compound name
3-iodo-8-phenylmethoxyimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

349.9916 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.99888 155.1
[M+Na]+ 372.98082 158.4
[M-H]- 348.98432 153.1
[M+NH4]+ 368.02542 167.8
[M+K]+ 388.95476 159.5
[M+H-H2O]+ 332.98886 142.9
[M+HCOO]- 394.98980 173.6
[M+CH3COO]- 409.00545 164.0
[M+Na-2H]- 370.96627 151.1
[M]+ 349.99105 155.5
[M]- 349.99215 155.5
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