CID 69931

796-77-0

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-3-20(4-2)14-15-22-18-12-10-17(11-13-18)19(21)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKey
GSTOOYJSPRJGDO-UHFFFAOYSA-N
Compound name
[4-[2-(diethylamino)ethoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

297.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.8
[M+Na]+ 320.16210 177.2
[M-H]- 296.16560 180.0
[M+NH4]+ 315.20670 187.8
[M+K]+ 336.13604 174.5
[M+H-H2O]+ 280.17014 163.8
[M+HCOO]- 342.17108 196.5
[M+CH3COO]- 356.18673 210.5
[M+Na-2H]- 318.14755 175.7
[M]+ 297.17233 176.0
[M]- 297.17343 176.0
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