CID 207472

30075-13-9

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC
InChI
InChI=1S/C20H31NO2/c1-3-15-23-20-10-9-18(16-17(20)4-2)19(22)11-14-21-12-7-5-6-8-13-21/h9-10,16H,3-8,11-15H2,1-2H3
InChIKey
ROBQWNPIAXHYCL-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(3-ethyl-4-propoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.24275 178.6
[M+Na]+ 340.22469 187.7
[M+NH4]+ 335.26929 184.9
[M+K]+ 356.19863 181.6
[M-H]- 316.22819 181.2
[M+Na-2H]- 338.21014 183.4
[M]+ 317.23492 180.5
[M]- 317.23602 180.5
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.