CID 5857558

4-(2-diethylaminoethoxy)chalcone

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)16-17-24-20-13-10-18(11-14-20)12-15-21(23)19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3/b15-12+
InChIKey
ZILFLOGKIQQYSS-NTCAYCPXSA-N
Compound name
(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 181.0
[M+Na]+ 346.17776 193.6
[M+NH4]+ 341.22236 188.3
[M+K]+ 362.15170 184.9
[M-H]- 322.18126 185.7
[M+Na-2H]- 344.16321 189.1
[M]+ 323.18799 184.1
[M]- 323.18909 184.1
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

patents stripe