CID 205089

17334-80-4

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₃

SMILES

CC1(C(C2=CC=CC=C2C1O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N2O3/c1-21(19(24)17-5-3-4-6-18(17)20(21)25)23-13-11-22(12-14-23)15-7-9-16(26-2)10-8-15/h3-10,19-20,24-25H,11-14H2,1-2H3

InChIKey

SYICVEYESYZNED-UHFFFAOYSA-N

Compound name

2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-1,3-dihydroindene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.19434 Da
Monoisotopic Mass: 1.8
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]+	355.201616	186.8
[M+Na]+	377.183558	193.2
[M-H]-	353.187064	192.0
[M+NH4]+	372.228163	200.3
[M+K]+	393.157498	187.5
[M+H-H2O]+	337.191600	177.3
[M+HCOO]-	399.192541	199.7
[M+CH3COO]-	413.208191	195.4
[M+Na-2H]-	375.169006	186.4
[M]+	354.19379142	183.5
[M]-	354.19488858	183.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.