CID 3275

Etafenone

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKey
OEGDFSLNGABBKJ-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22
References

3083
Patents

325.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 182.1
[M+Na]+ 348.19342 185.6
[M-H]- 324.19692 188.8
[M+NH4]+ 343.23802 195.9
[M+K]+ 364.16736 182.4
[M+H-H2O]+ 308.20146 172.6
[M+HCOO]- 370.20240 205.1
[M+CH3COO]- 384.21805 216.4
[M+Na-2H]- 346.17887 183.9
[M]+ 325.20365 185.9
[M]- 325.20475 185.9
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