CID 207489

30115-77-6

Structural Information

Molecular Formula

C₂₅H₃₅N₃O

SMILES

C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCCN4CCN(CC4)CCO

InChI

InChI=1S/C25H35N3O/c29-19-18-27-16-14-26(15-17-27)12-5-13-28-20-24-8-3-1-6-22(24)10-11-23-7-2-4-9-25(23)21-28/h1-4,6-9,29H,5,10-21H2

InChIKey

HLZHCGNMOVOPSU-UHFFFAOYSA-N

Compound name

2-[4-[3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 393.278 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]+	394.285276	203.2
[M+Na]+	416.267218	200.0
[M-H]-	392.270724	201.1
[M+NH4]+	411.311823	201.2
[M+K]+	432.241158	200.0
[M+H-H2O]+	376.275260	192.5
[M+HCOO]-	438.276201	201.8
[M+CH3COO]-	452.291851	202.2
[M+Na-2H]-	414.252666	202.8
[M]+	393.27745142	201.4
[M]-	393.27854858	201.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.