CID 3017230

61086-04-2

Structural Information

Molecular Formula

C₁₉H₂₄N₂O

SMILES

C1CN(CCC1(CO)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2

InChIKey

WTOYUGZUPNQZHG-UHFFFAOYSA-N

Compound name

(4-anilino-1-benzylpiperidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 296.18887 Da
Monoisotopic Mass: 3.1
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]+	297.196146	171.7
[M+Na]+	319.178088	175.0
[M-H]-	295.181594	177.3
[M+NH4]+	314.222693	185.6
[M+K]+	335.152028	169.5
[M+H-H2O]+	279.186130	161.8
[M+HCOO]-	341.187071	189.9
[M+CH3COO]-	355.202721	180.7
[M+Na-2H]-	317.163536	176.9
[M]+	296.18832142	165.6
[M]-	296.18941858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe