CID 162798

Rgh 6201

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCCN(CC)CC)O
InChI
InChI=1S/C21H29NO2/c1-4-21(23,18-10-8-7-9-11-18)19-12-14-20(15-13-19)24-17-16-22(5-2)6-3/h7-15,23H,4-6,16-17H2,1-3H3
InChIKey
STSAFCZWSFWXJC-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

327.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 183.2
[M+Na]+ 350.20904 195.2
[M+NH4]+ 345.25364 190.7
[M+K]+ 366.18298 187.4
[M-H]- 326.21254 187.5
[M+Na-2H]- 348.19449 191.2
[M]+ 327.21927 186.2
[M]- 327.22037 186.2
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