CID 25342

Prophenoxamine free base

Structural Information

Molecular Formula

C₂₂H₃₁NO

SMILES

CCN(CC)C(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H31NO/c1-5-23(6-2)22(17-18(4)19-11-9-8-10-12-19)20-13-15-21(16-14-20)24-7-3/h8-16,18,22H,5-7,17H2,1-4H3

InChIKey

FCLYRXWNSYOOPG-UHFFFAOYSA-N

Compound name

1-(4-ethoxyphenyl)-N,N-diethyl-3-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 325.24057 Da
Monoisotopic Mass: 5.5
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]+	326.247846	184.8
[M+Na]+	348.229788	187.4
[M-H]-	324.233294	191.4
[M+NH4]+	343.274393	198.7
[M+K]+	364.203728	184.5
[M+H-H2O]+	308.237830	175.5
[M+HCOO]-	370.238771	206.1
[M+CH3COO]-	384.254421	219.0
[M+Na-2H]-	346.215236	184.8
[M]+	325.24002142	187.7
[M]-	325.24111858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe