CID 202472

10429-58-0

Structural Information

Molecular Formula

C₂₄H₂₅NO

SMILES

C1C(CC2=CC=CC=C21)NCCOC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C24H25NO/c1-2-8-19(9-3-1)16-22-12-6-7-13-24(22)26-15-14-25-23-17-20-10-4-5-11-21(20)18-23/h1-13,23,25H,14-18H2

InChIKey

ZALTXFZQOCHXNY-UHFFFAOYSA-N

Compound name

N-[2-(2-benzylphenoxy)ethyl]-2,3-dihydro-1H-inden-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 343.1936 Da
Monoisotopic Mass: 5.4
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]+	344.200876	183.1
[M+Na]+	366.182818	187.7
[M-H]-	342.186324	192.6
[M+NH4]+	361.227423	198.1
[M+K]+	382.156758	181.0
[M+H-H2O]+	326.190860	173.5
[M+HCOO]-	388.191801	205.6
[M+CH3COO]-	402.207451	193.1
[M+Na-2H]-	364.168266	186.3
[M]+	343.19305142	182.3
[M]-	343.19414858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.