CID 208834

Dietifen

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-6-5-7-9-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3
InChIKey
KMICWMXRUOETFR-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

325.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 182.1
[M+Na]+ 348.193418 185.6
[M-H]- 324.196924 188.8
[M+NH4]+ 343.238023 195.9
[M+K]+ 364.167358 182.4
[M+H-H2O]+ 308.201460 172.6
[M+HCOO]- 370.202401 205.1
[M+CH3COO]- 384.218051 216.4
[M+Na-2H]- 346.178866 183.9
[M]+ 325.20365142 185.9
[M]- 325.20474858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.