CID 2757945

58999-69-2

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OC)N

InChI

InChI=1S/C16H19NO/c1-16(2,12-7-5-4-6-8-12)13-9-10-15(18-3)14(17)11-13/h4-11H,17H2,1-3H3

InChIKey

LDKDRXIFLQFRDY-UHFFFAOYSA-N

Compound name

2-methoxy-5-(2-phenylpropan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 241.14667 Da
Monoisotopic Mass: 4.2
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]+	242.153946	156.6
[M+Na]+	264.135888	163.9
[M-H]-	240.139394	163.2
[M+NH4]+	259.180493	173.9
[M+K]+	280.109828	160.2
[M+H-H2O]+	224.143930	149.6
[M+HCOO]-	286.144871	179.4
[M+CH3COO]-	300.160521	197.0
[M+Na-2H]-	262.121336	162.3
[M]+	241.14612142	156.5
[M]-	241.14721858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe