CID 3068800

Piperazine, 1,4-bis(2h-1-benzopyran-3-ylmethyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₄H₂₆N₂O₂

SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3OC2)CC4=CC5=CC=CC=C5OC4

InChI

InChI=1S/C24H26N2O2/c1-3-7-23-21(5-1)13-19(17-27-23)15-25-9-11-26(12-10-25)16-20-14-22-6-2-4-8-24(22)28-18-20/h1-8,13-14H,9-12,15-18H2

InChIKey

SOEYHDCWBROBOR-UHFFFAOYSA-N

Compound name

1,4-bis(2H-chromen-3-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.19943 Da
Monoisotopic Mass: 2.8
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]+	375.206706	191.9
[M+Na]+	397.188648	195.7
[M-H]-	373.192154	199.4
[M+NH4]+	392.233253	198.9
[M+K]+	413.162588	191.2
[M+H-H2O]+	357.196690	178.6
[M+HCOO]-	419.197631	201.7
[M+CH3COO]-	433.213281	199.0
[M+Na-2H]-	395.174096	195.8
[M]+	374.19888142	187.3
[M]-	374.19997858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.