CID 42697

3-dimethylaminomethyl-4-methoxybenzophenone hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(C)CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H19NO2/c1-18(2)12-15-11-14(9-10-16(15)20-3)17(19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
WMJALEFEGSAGSJ-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-4-methoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 162.9
[M+Na]+ 292.130788 169.2
[M-H]- 268.134294 171.0
[M+NH4]+ 287.175393 179.5
[M+K]+ 308.104728 167.1
[M+H-H2O]+ 252.138830 154.6
[M+HCOO]- 314.139771 187.4
[M+CH3COO]- 328.155421 205.7
[M+Na-2H]- 290.116236 166.3
[M]+ 269.14102142 165.9
[M]- 269.14211858 165.9
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.