CID 490554

4-phenoxy-n-sec-butyl-aniline

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CCC(C)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

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

InChIKey

PRIWDNSFVIAXKM-UHFFFAOYSA-N

Compound name

N-butan-2-yl-4-phenoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.14667 Da
Monoisotopic Mass: 4.8
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	156.5
[M+Na]+	264.135888	162.0
[M-H]-	240.139394	162.8
[M+NH4]+	259.180493	173.4
[M+K]+	280.109828	158.6
[M+H-H2O]+	224.143930	148.6
[M+HCOO]-	286.144871	180.5
[M+CH3COO]-	300.160521	196.9
[M+Na-2H]-	262.121336	161.9
[M]+	241.14612142	156.7
[M]-	241.14721858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.