CID 10688629

206114-43-4

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCCN(CCC)CCC1=CC(=C(C=C1)O)OCCC2=CC=CC=C2
InChI
InChI=1S/C22H31NO2/c1-3-14-23(15-4-2)16-12-20-10-11-21(24)22(18-20)25-17-13-19-8-6-5-7-9-19/h5-11,18,24H,3-4,12-17H2,1-2H3
InChIKey
DMVMWWXQRZDRJE-UHFFFAOYSA-N
Compound name
4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.23547 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 187.3
[M+Na]+ 364.224688 190.9
[M-H]- 340.228194 192.7
[M+NH4]+ 359.269293 200.3
[M+K]+ 380.198628 186.7
[M+H-H2O]+ 324.232730 177.9
[M+HCOO]- 386.233671 209.3
[M+CH3COO]- 400.249321 217.9
[M+Na-2H]- 362.210136 188.6
[M]+ 341.23492142 191.4
[M]- 341.23601858 191.4
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

patents stripe