CID 219120

Hexapradol

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

InChI

InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3

InChIKey

ZVRZJTRBWTVKOJ-UHFFFAOYSA-N

Compound name

2-amino-1,1-diphenylheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 60
Patents: 283.1936 Da
Monoisotopic Mass: 4.0
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]+	284.200876	170.7
[M+Na]+	306.182818	173.9
[M-H]-	282.186324	174.4
[M+NH4]+	301.227423	184.7
[M+K]+	322.156758	169.0
[M+H-H2O]+	266.190860	162.9
[M+HCOO]-	328.191801	189.9
[M+CH3COO]-	342.207451	202.0
[M+Na-2H]-	304.168266	174.4
[M]+	283.19305142	168.2
[M]-	283.19414858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe