CID 40040

51490-49-4

Structural Information

Molecular Formula

C₂₂H₂₉NO

SMILES

CN(C)CCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2

InChI

InChI=1S/C22H29NO/c1-23(2)15-16-24-22(19-10-6-4-7-11-19)21-14-13-18-9-5-3-8-12-20(18)17-21/h4,6-7,10-11,13-14,17,22H,3,5,8-9,12,15-16H2,1-2H3

InChIKey

PULKHMJVFAJVTE-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.2249 Da
Monoisotopic Mass: 5.2
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]+	324.232176	178.7
[M+Na]+	346.214118	180.0
[M-H]-	322.217624	186.8
[M+NH4]+	341.258723	192.7
[M+K]+	362.188058	180.9
[M+H-H2O]+	306.222160	171.5
[M+HCOO]-	368.223101	197.4
[M+CH3COO]-	382.238751	216.1
[M+Na-2H]-	344.199566	181.0
[M]+	323.22435142	175.1
[M]-	323.22544858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.