CID 162300

38353-82-1

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)OCC(CNC2=CC=CC(=C2)N)O

InChI

InChI=1S/C15H18N2O2/c16-12-5-4-6-13(9-12)17-10-14(18)11-19-15-7-2-1-3-8-15/h1-9,14,17-18H,10-11,16H2

InChIKey

RFPKYQMWFYTWKO-UHFFFAOYSA-N

Compound name

1-(3-aminoanilino)-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 258.13684 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]+	259.14412	158.6
[M+Na]+	281.12606	163.1
[M-H]-	257.12956	163.1
[M+NH4]+	276.17066	173.4
[M+K]+	297.10000	159.3
[M+H-H2O]+	241.13410	150.5
[M+HCOO]-	303.13504	182.0
[M+CH3COO]-	317.15069	198.0
[M+Na-2H]-	279.11151	163.5
[M]+	258.13629	156.4
[M]-	258.13739	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe