CID 3407

Fominoben

Structural Information

Molecular Formula

C₂₁H₂₄ClN₃O₃

SMILES

CN(CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CC=C2)CC(=O)N3CCOCC3

InChI

InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)

InChIKey

KSNNEUZOAFRTDS-UHFFFAOYSA-N

Compound name

N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 1833
Patents: 401.1506 Da
Monoisotopic Mass: 2.4
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]+	402.157876	197.0
[M+Na]+	424.139818	199.6
[M-H]-	400.143324	205.7
[M+NH4]+	419.184423	205.0
[M+K]+	440.113758	196.4
[M+H-H2O]+	384.147860	186.4
[M+HCOO]-	446.148801	210.7
[M+CH3COO]-	460.164451	227.0
[M+Na-2H]-	422.125266	197.6
[M]+	401.15005142	197.3
[M]-	401.15114858	197.3

Literature stripe

literature stripe

Patent stripe

patents stripe