CID 103164

Einecs 265-396-1

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

C1CC(C(C1)N=CC2=CC=CC=C2O)CN=CC3=CC=CC=C3O

InChI

InChI=1S/C20H22N2O2/c23-19-10-3-1-6-16(19)13-21-12-15-8-5-9-18(15)22-14-17-7-2-4-11-20(17)24/h1-4,6-7,10-11,13-15,18,23-24H,5,8-9,12H2

InChIKey

SQWPYVWIMWPZGC-UHFFFAOYSA-N

Compound name

2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclopentyl]methyliminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 3.2
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]+	323.175396	176.1
[M+Na]+	345.157338	180.8
[M-H]-	321.160844	185.4
[M+NH4]+	340.201943	191.2
[M+K]+	361.131278	175.4
[M+H-H2O]+	305.165380	167.2
[M+HCOO]-	367.166321	200.7
[M+CH3COO]-	381.181971	211.1
[M+Na-2H]-	343.142786	177.8
[M]+	322.16757142	173.7
[M]-	322.16866858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.