CID 27239

15382-87-3

Structural Information

Molecular Formula

C₁₆H₁₉NO₃

SMILES

COC1=C(C=CC(=C1)N)OCCCOC2=CC=CC=C2

InChI

InChI=1S/C16H19NO3/c1-18-16-12-13(17)8-9-15(16)20-11-5-10-19-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,17H2,1H3

InChIKey

URWUONAQAFAJNW-UHFFFAOYSA-N

Compound name

3-methoxy-4-(3-phenoxypropoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.1365 Da
Monoisotopic Mass: 3.2
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]+	274.143776	162.8
[M+Na]+	296.125718	169.3
[M-H]-	272.129224	168.9
[M+NH4]+	291.170323	178.4
[M+K]+	312.099658	166.3
[M+H-H2O]+	256.133760	154.4
[M+HCOO]-	318.134701	187.6
[M+CH3COO]-	332.150351	200.7
[M+Na-2H]-	294.111166	167.7
[M]+	273.13595142	165.9
[M]-	273.13704858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.