CID 3046158

4-methylanilino-(3-methoxy-(4-methylpiperidino)acetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₃

SMILES

CC1CCN(CC1)CC(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H28N2O3/c1-17-4-7-20(8-5-17)24-15-19-6-9-21(22(14-19)27-3)28-23(26)16-25-12-10-18(2)11-13-25/h4-9,14-15,18H,10-13,16H2,1-3H3

InChIKey

VBJDUBAPPCMAFY-UHFFFAOYSA-N

Compound name

[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-(4-methylpiperidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.21 Da
Monoisotopic Mass: 4.7
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]+	381.217276	194.4
[M+Na]+	403.199218	198.5
[M-H]-	379.202724	203.0
[M+NH4]+	398.243823	204.7
[M+K]+	419.173158	194.4
[M+H-H2O]+	363.207260	183.1
[M+HCOO]-	425.208201	213.8
[M+CH3COO]-	439.223851	224.7
[M+Na-2H]-	401.184666	194.0
[M]+	380.20945142	194.8
[M]-	380.21054858	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.