CID 135429327

Schembl6454530

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C(=C1)C2=NOC(=C2)C3=CC=CC=N3)O

InChI

InChI=1S/C14H10N2O2/c17-13-7-2-1-5-10(13)12-9-14(18-16-12)11-6-3-4-8-15-11/h1-9,17H

InChIKey

DAULAHIBLYGVGF-UHFFFAOYSA-N

Compound name

2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.07423 Da
Monoisotopic Mass: 2.3
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]+	239.081506	150.4
[M+Na]+	261.063448	159.8
[M-H]-	237.066954	157.6
[M+NH4]+	256.108053	164.7
[M+K]+	277.037388	156.2
[M+H-H2O]+	221.071490	141.5
[M+HCOO]-	283.072431	172.2
[M+CH3COO]-	297.088081	163.3
[M+Na-2H]-	259.048896	156.8
[M]+	238.07368142	151.0
[M]-	238.07477858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe