CID 289345

2-(2-(4-tert-octylphenoxy)ethoxy)aniline

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC=C2N
InChI
InChI=1S/C22H31NO2/c1-21(2,3)16-22(4,5)17-10-12-18(13-11-17)24-14-15-25-20-9-7-6-8-19(20)23/h6-13H,14-16,23H2,1-5H3
InChIKey
SNURMEDSOLSWTL-UHFFFAOYSA-N
Compound name
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 187.3
[M+Na]+ 364.224688 192.2
[M-H]- 340.228194 193.0
[M+NH4]+ 359.269293 200.5
[M+K]+ 380.198628 188.4
[M+H-H2O]+ 324.232730 179.3
[M+HCOO]- 386.233671 206.6
[M+CH3COO]- 400.249321 216.9
[M+Na-2H]- 362.210136 190.7
[M]+ 341.23492142 190.1
[M]- 341.23601858 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.