CID 68750

Pipoxizina

Structural Information

Molecular Formula

C₂₄H₃₁NO₃

SMILES

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CCOCCOCCO

InChI

InChI=1S/C24H31NO3/c26-16-18-28-20-19-27-17-15-25-13-11-23(12-14-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,26H,11-20H2

InChIKey

SCMPXORBOTWFTI-UHFFFAOYSA-N

Compound name

2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 38
Patents: 381.2304 Da
Monoisotopic Mass: 3.4
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]+	382.237676	195.6
[M+Na]+	404.219618	196.0
[M-H]-	380.223124	199.9
[M+NH4]+	399.264223	203.8
[M+K]+	420.193558	190.4
[M+H-H2O]+	364.227660	184.3
[M+HCOO]-	426.228601	210.3
[M+CH3COO]-	440.244251	215.5
[M+Na-2H]-	402.205066	195.4
[M]+	381.22985142	192.7
[M]-	381.23094858	192.7

Literature stripe

literature stripe

Patent stripe

patents stripe