CID 24844758

102584-24-7

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₂

SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CCCO)C[N+]3=CC=C(C=C3)CCCO

InChI

InChI=1S/C24H30N2O2/c27-17-1-3-21-9-13-25(14-10-21)19-23-5-7-24(8-6-23)20-26-15-11-22(12-16-26)4-2-18-28/h5-16,27-28H,1-4,17-20H2/q+2

InChIKey

YNWNPWOKWOSZNK-UHFFFAOYSA-N

Compound name

3-[1-[[4-[[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.23074 Da
Monoisotopic Mass: 3.1
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]+	379.238016	203.3
[M+Na]+	401.219958	207.4
[M-H]-	377.223464	207.1
[M+NH4]+	396.264563	209.8
[M+K]+	417.193898	188.8
[M+H-H2O]+	361.228000	196.9
[M+HCOO]-	423.228941	218.8
[M+CH3COO]-	437.244591	202.9
[M+Na-2H]-	399.205406	209.4
[M]+	378.23019142	201.6
[M]-	378.23128858	201.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.