CID 214220

27922-15-2

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCOC1=CC=C(C=C1)C(=O)C(C)CN2CCCCCC2
InChI
InChI=1S/C18H27NO2/c1-3-21-17-10-8-16(9-11-17)18(20)15(2)14-19-12-6-4-5-7-13-19/h8-11,15H,3-7,12-14H2,1-2H3
InChIKey
ITMNKUBDIFHVGG-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1-(4-ethoxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 169.7
[M+Na]+ 312.19342 178.5
[M+NH4]+ 307.23802 176.1
[M+K]+ 328.16736 173.5
[M-H]- 288.19692 172.1
[M+Na-2H]- 310.17887 174.9
[M]+ 289.20365 171.5
[M]- 289.20475 171.5
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.