CID 9470

Fenyramidol

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O

InChI

InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)

InChIKey

ZEAJXCPGHPJVNP-UHFFFAOYSA-N

Compound name

1-phenyl-2-(pyridin-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 23
References: 7097
Patents: 214.11061 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]+	215.11789	147.0
[M+Na]+	237.09983	152.4
[M-H]-	213.10333	150.6
[M+NH4]+	232.14443	162.6
[M+K]+	253.07377	148.5
[M+H-H2O]+	197.10787	138.8
[M+HCOO]-	259.10881	169.2
[M+CH3COO]-	273.12446	186.8
[M+Na-2H]-	235.08528	154.6
[M]+	214.11006	144.4
[M]-	214.11116	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe