CID 133044

Ge-68

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCCNCC(C1=C(C2=CC=CC=C2O1)CCC3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO2/c1-2-14-22-15-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21/h3-11,19,22-23H,2,12-15H2,1H3
InChIKey
XPEXCFSBFPOSQR-UHFFFAOYSA-N
Compound name
1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

323.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.0
[M+Na]+ 346.17776 193.4
[M+NH4]+ 341.22236 188.3
[M+K]+ 362.15170 186.7
[M-H]- 322.18126 186.2
[M+Na-2H]- 344.16321 187.0
[M]+ 323.18799 183.8
[M]- 323.18909 183.8
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