CID 133875

Pibaxizine

Structural Information

Molecular Formula

C₂₄H₂₉NO₄

SMILES

C1CN(CCC1=C(C2=CC=CC=C2)C3=CC=CC=C3)CCOCCOCC(=O)O

InChI

InChI=1S/C24H29NO4/c26-23(27)19-29-18-17-28-16-15-25-13-11-22(12-14-25)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10H,11-19H2,(H,26,27)

InChIKey

KMUBBNQZNBTUSH-UHFFFAOYSA-N

Compound name

2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 99
Patents: 395.20966 Da
Monoisotopic Mass: 1.4
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]+	396.216936	197.3
[M+Na]+	418.198878	197.6
[M-H]-	394.202384	201.7
[M+NH4]+	413.243483	204.6
[M+K]+	434.172818	192.7
[M+H-H2O]+	378.206920	186.1
[M+HCOO]-	440.207861	211.4
[M+CH3COO]-	454.223511	217.8
[M+Na-2H]-	416.184326	196.2
[M]+	395.20911142	194.6
[M]-	395.21020858	194.6

Literature stripe

literature stripe

Patent stripe

patents stripe