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]+ 328.190716 180.7
[M+Na]+ 350.172658 184.2
[M-H]- 326.176164 187.7
[M+NH4]+ 345.217263 194.3
[M+K]+ 366.146598 182.5
[M+H-H2O]+ 310.180700 171.4
[M+HCOO]- 372.181641 203.3
[M+CH3COO]- 386.197291 216.3
[M+Na-2H]- 348.158106 181.9
[M]+ 327.18289142 185.0
[M]- 327.18398858 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.