CID 59705

102759-19-3

Structural Information

Molecular Formula

C₂₁H₂₉NO₂

SMILES

CNC1=CC=C(C=C1)OCCCCCCCCOC2=CC=CC=C2

InChI

InChI=1S/C21H29NO2/c1-22-19-13-15-21(16-14-19)24-18-10-5-3-2-4-9-17-23-20-11-7-6-8-12-20/h6-8,11-16,22H,2-5,9-10,17-18H2,1H3

InChIKey

ZIOSLEJHBGKWMR-UHFFFAOYSA-N

Compound name

N-methyl-4-(8-phenoxyoctoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.21982 Da
Monoisotopic Mass: 6.1
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]+	328.227096	181.8
[M+Na]+	350.209038	185.2
[M-H]-	326.212544	186.9
[M+NH4]+	345.253643	195.1
[M+K]+	366.182978	180.6
[M+H-H2O]+	310.217080	172.3
[M+HCOO]-	372.218021	205.2
[M+CH3COO]-	386.233671	213.0
[M+Na-2H]-	348.194486	185.7
[M]+	327.21927142	185.7
[M]-	327.22036858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.