CID 79514

5442-83-1

Structural Information

Molecular Formula
C20H35NO2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCN(C)C
InChI
InChI=1S/C20H35NO2/c1-19(2,3)16-20(4,5)17-8-10-18(11-9-17)23-15-14-22-13-12-21(6)7/h8-11H,12-16H2,1-7H3
InChIKey
YVXDVQJWLGIVOL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

321.26678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 183.4
[M+Na]+ 344.25600 192.8
[M+NH4]+ 339.30060 189.9
[M+K]+ 360.22994 186.8
[M-H]- 320.25950 184.7
[M+Na-2H]- 342.24145 188.0
[M]+ 321.26623 185.2
[M]- 321.26733 185.2
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

patents stripe