CID 60196

107779-32-8

Structural Information

Molecular Formula

C₁₈H₂₃NO₃

SMILES

COC1=C(C=CC(=C1)N)OCCCCCOC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c1-20-18-14-15(19)10-11-17(18)22-13-7-3-6-12-21-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,19H2,1H3

InChIKey

PGVJKMZFCSVYHF-UHFFFAOYSA-N

Compound name

3-methoxy-4-(5-phenoxypentoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.1678 Da
Monoisotopic Mass: 3.9
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]+	302.175076	172.0
[M+Na]+	324.157018	177.5
[M-H]-	300.160524	177.6
[M+NH4]+	319.201623	186.4
[M+K]+	340.130958	174.0
[M+H-H2O]+	284.165060	163.1
[M+HCOO]-	346.166001	196.0
[M+CH3COO]-	360.181651	206.7
[M+Na-2H]-	322.142466	175.7
[M]+	301.16725142	175.7
[M]-	301.16834858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe