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: 49
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]+	242.15395	157.5
[M+Na]+	264.13589	171.6
[M+NH4]+	259.18049	166.5
[M+K]+	280.10983	164.0
[M-H]-	240.13939	162.7
[M+Na-2H]-	262.12134	167.1
[M]+	241.14612	161.2
[M]-	241.14722	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe