CID 205492

Propiophenone, 4'-ethoxy-3-(hexahydro-1h-azepin-1-yl)-, hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)CCN2CCCCCC2
InChI
InChI=1S/C17H25NO2/c1-2-20-16-9-7-15(8-10-16)17(19)11-14-18-12-5-3-4-6-13-18/h7-10H,2-6,11-14H2,1H3
InChIKey
VAFZAQNRXMHCPL-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(4-ethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.2
[M+Na]+ 298.17776 175.5
[M+NH4]+ 293.22236 172.9
[M+K]+ 314.15170 169.9
[M-H]- 274.18126 168.8
[M+Na-2H]- 296.16321 171.9
[M]+ 275.18799 168.1
[M]- 275.18909 168.1
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.