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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07601 171.2
[M+Na]+ 344.05795 179.6
[M-H]- 320.06145 177.7
[M+NH4]+ 339.10255 187.8
[M+K]+ 360.03189 173.0
[M+H-H2O]+ 304.06599 165.0
[M+HCOO]- 366.06693 182.1
[M+CH3COO]- 380.08258 182.1
[M+Na-2H]- 342.04340 173.8
[M]+ 321.06818 172.7
[M]- 321.06928 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.