CID 1032680

Vufb-10637

Structural Information

Molecular Formula

C₂₆H₄₂N₄O₂

SMILES

C1CC2=C(C1)C(=C3CCCC3=C2CN4CCN(CC4)CCO)CN5CCN(CC5)CCO

InChI

InChI=1S/C26H42N4O2/c31-17-15-27-7-11-29(12-8-27)19-25-21-3-1-4-22(21)26(24-6-2-5-23(24)25)20-30-13-9-28(10-14-30)16-18-32/h31-32H,1-20H2

InChIKey

DSYMGIDXYHRMAF-UHFFFAOYSA-N

Compound name

2-[4-[[8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]methyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 442.33078 Da
Monoisotopic Mass: 1.5
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]+	443.338056	213.7
[M+Na]+	465.319998	213.6
[M-H]-	441.323504	214.6
[M+NH4]+	460.364603	220.8
[M+K]+	481.293938	206.2
[M+H-H2O]+	425.328040	201.9
[M+HCOO]-	487.328981	216.6
[M+CH3COO]-	501.344631	216.7
[M+Na-2H]-	463.305446	204.6
[M]+	442.33023142	205.0
[M]-	442.33132858	205.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.