CID 10088219

5-chlorodescyano citalopram oxalate

Structural Information

Molecular Formula

C₁₉H₂₁ClFNO

SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21ClFNO/c1-22(2)11-3-10-19(15-4-7-17(21)8-5-15)18-9-6-16(20)12-14(18)13-23-19/h4-9,12H,3,10-11,13H2,1-2H3

InChIKey

COAPWBUTTSOWLG-UHFFFAOYSA-N

Compound name

3-[5-chloro-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 333.12958 Da
Monoisotopic Mass: 4.1
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]+	334.136856	179.3
[M+Na]+	356.118798	188.1
[M-H]-	332.122304	187.3
[M+NH4]+	351.163403	198.0
[M+K]+	372.092738	183.2
[M+H-H2O]+	316.126840	171.5
[M+HCOO]-	378.127781	196.2
[M+CH3COO]-	392.143431	191.0
[M+Na-2H]-	354.104246	182.0
[M]+	333.12903142	183.4
[M]-	333.13012858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe