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]+ 318.18526 178.0
[M+Na]+ 340.16720 183.4
[M-H]- 316.17070 188.4
[M+NH4]+ 335.21180 192.1
[M+K]+ 356.14114 178.9
[M+H-H2O]+ 300.17524 167.8
[M+HCOO]- 362.17618 202.5
[M+CH3COO]- 376.19183 214.4
[M+Na-2H]- 338.15265 182.2
[M]+ 317.17743 179.6
[M]- 317.17853 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.