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]+ 270.14885 163.9
[M+Na]+ 292.13079 168.0
[M-H]- 268.13429 171.2
[M+NH4]+ 287.17539 179.7
[M+K]+ 308.10473 166.3
[M+H-H2O]+ 252.13883 155.3
[M+HCOO]- 314.13977 187.4
[M+CH3COO]- 328.15542 204.3
[M+Na-2H]- 290.11624 167.5
[M]+ 269.14102 165.4
[M]- 269.14212 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.