CID 9504069

2-chloro-n-[(6-methoxynaphthalen-2-yl)methyl]-n-methylacetamide

Structural Information

Molecular Formula

C₁₅H₁₆ClNO₂

SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)CCl

InChI

InChI=1S/C15H16ClNO2/c1-17(15(18)9-16)10-11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3

InChIKey

FRLXQFITTWILLQ-UHFFFAOYSA-N

Compound name

2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.08694 Da
Monoisotopic Mass: 3.1
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]+	278.094216	161.4
[M+Na]+	300.076158	169.6
[M-H]-	276.079664	167.2
[M+NH4]+	295.120763	180.0
[M+K]+	316.050098	165.9
[M+H-H2O]+	260.084200	155.2
[M+HCOO]-	322.085141	180.5
[M+CH3COO]-	336.100791	204.5
[M+Na-2H]-	298.061606	166.2
[M]+	277.08639142	167.2
[M]-	277.08748858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.