CID 85584807

Moclobemide metabolite m2

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O₃

SMILES

C1=CC(=CC=C1C(=O)NCCN(CCO)CCO)Cl

InChI

InChI=1S/C13H19ClN2O3/c14-12-3-1-11(2-4-12)13(19)15-5-6-16(7-9-17)8-10-18/h1-4,17-18H,5-10H2,(H,15,19)

InChIKey

LRUUEGXCGXIMQJ-UHFFFAOYSA-N

Compound name

N-[2-[bis(2-hydroxyethyl)amino]ethyl]-4-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 286.10843 Da
Monoisotopic Mass: 0.1
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]+	287.115706	165.1
[M+Na]+	309.097648	169.9
[M-H]-	285.101154	166.7
[M+NH4]+	304.142253	180.2
[M+K]+	325.071588	166.1
[M+H-H2O]+	269.105690	158.9
[M+HCOO]-	331.106631	183.3
[M+CH3COO]-	345.122281	202.0
[M+Na-2H]-	307.083096	167.6
[M]+	286.10788142	167.8
[M]-	286.10897858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.