CID 210017

20845-59-4

Structural Information

Molecular Formula

C₂₁H₂₅NO

SMILES

CN1CCC(CC1)C2CC3=CC=CC=C3C2(C4=CC=CC=C4)O

InChI

InChI=1S/C21H25NO/c1-22-13-11-16(12-14-22)20-15-17-7-5-6-10-19(17)21(20,23)18-8-3-2-4-9-18/h2-10,16,20,23H,11-15H2,1H3

InChIKey

KXTACQQMODGTMI-UHFFFAOYSA-N

Compound name

2-(1-methylpiperidin-4-yl)-1-phenyl-2,3-dihydroinden-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.1936 Da
Monoisotopic Mass: 3.6
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]+	308.200876	176.2
[M+Na]+	330.182818	181.7
[M-H]-	306.186324	183.4
[M+NH4]+	325.227423	193.3
[M+K]+	346.156758	175.3
[M+H-H2O]+	290.190860	167.0
[M+HCOO]-	352.191801	191.7
[M+CH3COO]-	366.207451	185.9
[M+Na-2H]-	328.168266	177.1
[M]+	307.19305142	170.3
[M]-	307.19414858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe