CID 36109

Medifoxamine

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3

InChIKey

QNMGHBMGNRQPNL-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2,2-diphenoxyethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 3152
Patents: 257.14157 Da
Monoisotopic Mass: 3.8
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]+	258.148846	160.3
[M+Na]+	280.130788	164.8
[M-H]-	256.134294	167.6
[M+NH4]+	275.175393	176.8
[M+K]+	296.104728	163.4
[M+H-H2O]+	240.138830	151.7
[M+HCOO]-	302.139771	184.9
[M+CH3COO]-	316.155421	201.2
[M+Na-2H]-	278.116236	165.6
[M]+	257.14102142	162.7
[M]-	257.14211858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe