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]+ 298.18016 172.3
[M+Na]+ 320.16210 177.7
[M-H]- 296.16560 179.9
[M+NH4]+ 315.20670 187.7
[M+K]+ 336.13604 175.1
[M+H-H2O]+ 280.17014 163.6
[M+HCOO]- 342.17108 196.1
[M+CH3COO]- 356.18673 211.7
[M+Na-2H]- 318.14755 174.6
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.