CID 172419501

Acetyl hydroxy ser

Structural Information

Molecular Formula
C18H17Cl2NO2
SMILES
CC(=O)NC1CC(C(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H17Cl2NO2/c1-10(22)21-16-9-17(23)18(13-5-3-2-4-12(13)16)11-6-7-14(19)15(20)8-11/h2-8,16-18,23H,9H2,1H3,(H,21,22)
InChIKey
AFPFWOFZCHEAOF-UHFFFAOYSA-N
Compound name
N-[4-(3,4-dichlorophenyl)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07091 177.7
[M+Na]+ 372.05285 186.4
[M-H]- 348.05635 183.2
[M+NH4]+ 367.09745 192.7
[M+K]+ 388.02679 179.0
[M+H-H2O]+ 332.06089 172.0
[M+HCOO]- 394.06183 187.2
[M+CH3COO]- 408.07748 187.8
[M+Na-2H]- 370.03830 178.8
[M]+ 349.06308 178.9
[M]- 349.06418 178.9
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.