CID 203892

Piperazine, 1-(2-(9,10-ethanoanthracen-9(10h)-yloxy)ethyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

CN1CCN(CC1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35

InChI

InChI=1S/C23H28N2O/c1-24-12-14-25(15-13-24)16-17-26-23-11-10-18(19-6-2-4-8-21(19)23)20-7-3-5-9-22(20)23/h2-9,18H,10-17H2,1H3

InChIKey

ACCUGXYBVJSKPH-UHFFFAOYSA-N

Compound name

1-methyl-4-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 348.22015 Da
Monoisotopic Mass: 3.2
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]+	349.227426	182.2
[M+Na]+	371.209368	184.5
[M-H]-	347.212874	182.9
[M+NH4]+	366.253973	198.1
[M+K]+	387.183308	178.3
[M+H-H2O]+	331.217410	168.6
[M+HCOO]-	393.218351	188.1
[M+CH3COO]-	407.234001	188.5
[M+Na-2H]-	369.194816	189.3
[M]+	348.21960142	180.4
[M]-	348.22069858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe