CID 216139

Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(4-methyl-1-piperazinyl)ethoxy)ethyl ester, dihydrochloride

Structural Information

Molecular Formula

C₂₅H₃₂N₂O₃

SMILES

CN1CCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c1-26-12-14-27(15-13-26)16-17-29-18-19-30-24(28)23-20-25(23,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3

InChIKey

XTYCFKLGJOKGTO-UHFFFAOYSA-N

Compound name

2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.2413 Da
Monoisotopic Mass: 3.3
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]+	409.248576	204.5
[M+Na]+	431.230518	208.6
[M-H]-	407.234024	212.7
[M+NH4]+	426.275123	208.6
[M+K]+	447.204458	204.2
[M+H-H2O]+	391.238560	192.9
[M+HCOO]-	453.239501	219.7
[M+CH3COO]-	467.255151	224.1
[M+Na-2H]-	429.215966	204.6
[M]+	408.24075142	205.9
[M]-	408.24184858	205.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.