CID 56626156

N-hydroxy sertraline

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO

SMILES

CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C17H17Cl2NO/c1-20(21)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,21H,7,9H2,1H3/t12-,17-/m0/s1

InChIKey

YBWRFMYMDBDCLH-SJCJKPOMSA-N

Compound name

N-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylhydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 321.06873 Da
Monoisotopic Mass: 4.8
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]+	322.076006	171.2
[M+Na]+	344.057948	179.6
[M-H]-	320.061454	177.7
[M+NH4]+	339.102553	187.8
[M+K]+	360.031888	173.0
[M+H-H2O]+	304.065990	165.0
[M+HCOO]-	366.066931	182.1
[M+CH3COO]-	380.082581	182.1
[M+Na-2H]-	342.043396	173.8
[M]+	321.06818142	172.7
[M]-	321.06927858	172.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.