CID 204767

16870-63-6

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCCC2
InChI
InChI=1S/C19H29NO2/c1-2-3-16-22-18-10-8-17(9-11-18)19(21)12-15-20-13-6-4-5-7-14-20/h8-11H,2-7,12-16H2,1H3
InChIKey
FEMKAXDOHJXFEF-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(4-butoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 174.7
[M+Na]+ 326.20904 183.6
[M+NH4]+ 321.25364 181.1
[M+K]+ 342.18298 177.6
[M-H]- 302.21254 177.2
[M+Na-2H]- 324.19449 179.9
[M]+ 303.21927 176.6
[M]- 303.22037 176.6
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.