CID 42699

3-diethylaminomethyl-4-methoxybenzophenone hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCN(CC)CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C19H23NO2/c1-4-20(5-2)14-17-13-16(11-12-18(17)22-3)19(21)15-9-7-6-8-10-15/h6-13H,4-5,14H2,1-3H3
InChIKey
QHSCRIBQUVBVCE-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-4-methoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 172.3
[M+Na]+ 320.162098 177.7
[M-H]- 296.165604 179.9
[M+NH4]+ 315.206703 187.7
[M+K]+ 336.136038 175.1
[M+H-H2O]+ 280.170140 163.6
[M+HCOO]- 342.171081 196.1
[M+CH3COO]- 356.186731 211.7
[M+Na-2H]- 318.147546 174.6
[M]+ 297.17233142 176.0
[M]- 297.17342858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.