CID 4131497

14429-14-2

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

COC1=CC=C(C=C1)CNC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H17NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-10,16H,11H2,1-2H3

InChIKey

BLQPPHRONOIFIJ-UHFFFAOYSA-N

Compound name

4-methoxy-N-[(4-methoxyphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 243.12593 Da
Monoisotopic Mass: 3.3
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]+	244.13321	155.9
[M+Na]+	266.11515	170.2
[M+NH4]+	261.15975	164.8
[M+K]+	282.08909	162.0
[M-H]-	242.11865	161.4
[M+Na-2H]-	264.10060	165.7
[M]+	243.12538	159.6
[M]-	243.12648	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe