CID 501370

N,n-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline

Structural Information

Molecular Formula
C22H23NO
SMILES
CN(C)C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO/c1-23(2)21-12-8-18(9-13-21)16-17-24-22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3
InChIKey
NHYPPFFKPKXMQH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.17798 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.185256 178.0
[M+Na]+ 340.167198 183.4
[M-H]- 316.170704 188.4
[M+NH4]+ 335.211803 192.1
[M+K]+ 356.141138 178.9
[M+H-H2O]+ 300.175240 167.8
[M+HCOO]- 362.176181 202.5
[M+CH3COO]- 376.191831 214.4
[M+Na-2H]- 338.152646 182.2
[M]+ 317.17743142 179.6
[M]- 317.17852858 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.