CID 455752

Schembl18629834

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CCC1=C(N2C=CC=CC2=N1)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H14N2O2/c1-2-13-15(18-10-4-3-5-14(18)17-13)16(20)11-6-8-12(19)9-7-11/h3-10,19H,2H2,1H3

InChIKey

OQFRHOPIOCWPQL-UHFFFAOYSA-N

Compound name

(2-ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 266.10553 Da
Monoisotopic Mass: 3.9
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]+	267.11281	160.0
[M+Na]+	289.09475	170.2
[M-H]-	265.09825	164.7
[M+NH4]+	284.13935	176.1
[M+K]+	305.06869	164.9
[M+H-H2O]+	249.10279	151.7
[M+HCOO]-	311.10373	181.2
[M+CH3COO]-	325.11938	172.4
[M+Na-2H]-	287.08020	164.5
[M]+	266.10498	162.6
[M]-	266.10608	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe