CID 201589

3-dimethylamino-2-p-propoxyphenoxy-propiophenone hydrochloride

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCCOC1=CC=C(C=C1)OC(CN(C)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO3/c1-4-14-23-17-10-12-18(13-11-17)24-19(15-21(2)3)20(22)16-8-6-5-7-9-16/h5-13,19H,4,14-15H2,1-3H3
InChIKey
CXJQVYHWNQKXAZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-phenyl-2-(4-propoxyphenoxy)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 180.7
[M+Na]+ 350.17266 184.2
[M-H]- 326.17616 187.7
[M+NH4]+ 345.21726 194.3
[M+K]+ 366.14660 182.5
[M+H-H2O]+ 310.18070 171.4
[M+HCOO]- 372.18164 203.3
[M+CH3COO]- 386.19729 216.3
[M+Na-2H]- 348.15811 181.9
[M]+ 327.18289 185.0
[M]- 327.18399 185.0
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.