CID 4086478

14851-08-2

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CC1=C(C=CC2=CC=CC=C12)OC(C)(C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO3/c1-14-18-7-5-4-6-15(18)8-13-19(14)24-20(2,3)16-9-11-17(12-10-16)21(22)23/h4-13H,1-3H3

InChIKey

XLNWRKTUAZDOFR-UHFFFAOYSA-N

Compound name

1-methyl-2-[2-(4-nitrophenyl)propan-2-yloxy]naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.1365 Da
Monoisotopic Mass: 5.4
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]+	322.143776	176.1
[M+Na]+	344.125718	182.5
[M-H]-	320.129224	183.7
[M+NH4]+	339.170323	190.3
[M+K]+	360.099658	174.3
[M+H-H2O]+	304.133760	172.3
[M+HCOO]-	366.134701	197.6
[M+CH3COO]-	380.150351	205.1
[M+Na-2H]-	342.111166	184.0
[M]+	321.13595142	176.7
[M]-	321.13704858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.