CID 3054233

71009-18-2

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2C(CN3C=CN=C3)O

InChI

InChI=1S/C15H14N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11,15,18H,10H2

InChIKey

PGOHMHDRFAPIIL-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-naphthalen-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 238.11061 Da
Monoisotopic Mass: 2.0
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]+	239.11789	152.7
[M+Na]+	261.09983	161.4
[M-H]-	237.10333	156.7
[M+NH4]+	256.14443	169.5
[M+K]+	277.07377	156.2
[M+H-H2O]+	221.10787	144.2
[M+HCOO]-	283.10881	173.8
[M+CH3COO]-	297.12446	164.9
[M+Na-2H]-	259.08528	159.2
[M]+	238.11006	153.4
[M]-	238.11116	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe