CID 22020331

1329611-47-3

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCOC1=CC=CC=C1OCCNC(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H27NO3/c1-4-23-19-7-5-6-8-20(19)24-14-13-21-16(2)15-17-9-11-18(22-3)12-10-17/h5-12,16,21H,4,13-15H2,1-3H3
InChIKey
IBSHYZYWVDSBOI-UHFFFAOYSA-N
Compound name
N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

329.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 181.2
[M+Na]+ 352.18832 185.5
[M-H]- 328.19182 187.0
[M+NH4]+ 347.23292 194.6
[M+K]+ 368.16226 182.5
[M+H-H2O]+ 312.19636 172.0
[M+HCOO]- 374.19730 204.1
[M+CH3COO]- 388.21295 214.1
[M+Na-2H]- 350.17377 183.7
[M]+ 329.19855 186.0
[M]- 329.19965 186.0
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