CID 20118

4164-20-9

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C1=CC=C(C=C1)CCNCC(C2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO/c18-16(15-9-5-2-6-10-15)13-17-12-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2

InChIKey

LXTNZWGUMORTKT-UHFFFAOYSA-N

Compound name

1-phenyl-2-(2-phenylethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 6
Patents: 241.14667 Da
Monoisotopic Mass: 2.6
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]+	242.15395	156.5
[M+Na]+	264.13589	160.6
[M-H]-	240.13939	161.0
[M+NH4]+	259.18049	172.4
[M+K]+	280.10983	156.2
[M+H-H2O]+	224.14393	148.7
[M+HCOO]-	286.14487	179.0
[M+CH3COO]-	300.16052	193.2
[M+Na-2H]-	262.12134	162.2
[M]+	241.14612	154.5
[M]-	241.14722	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe