CID 407730

3-dimethylamino-2-phenoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(C)CC(C(=O)C1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C17H19NO2/c1-18(2)13-16(20-15-11-7-4-8-12-15)17(19)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3
InChIKey
ARJIYYSWFUYCFV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 163.9
[M+Na]+ 292.130788 168.0
[M-H]- 268.134294 171.2
[M+NH4]+ 287.175393 179.7
[M+K]+ 308.104728 166.3
[M+H-H2O]+ 252.138830 155.3
[M+HCOO]- 314.139771 187.4
[M+CH3COO]- 328.155421 204.3
[M+Na-2H]- 290.116236 167.5
[M]+ 269.14102142 165.4
[M]- 269.14211858 165.4
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

No patent data available for this compound.