CID 47002387

4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C=O

InChI

InChI=1S/C16H14N2O2/c1-12-3-2-8-18-9-14(17-16(12)18)11-20-15-6-4-13(10-19)5-7-15/h2-10H,11H2,1H3

InChIKey

CBGJECVVIDDPSJ-UHFFFAOYSA-N

Compound name

4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.112806	159.6
[M+Na]+	289.094748	170.6
[M-H]-	265.098254	165.5
[M+NH4]+	284.139353	176.5
[M+K]+	305.068688	165.6
[M+H-H2O]+	249.102790	150.8
[M+HCOO]-	311.103731	183.3
[M+CH3COO]-	325.119381	172.7
[M+Na-2H]-	287.080196	165.6
[M]+	266.10498142	164.6
[M]-	266.10607858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.