CID 3024647

Cyclohexanone, 2-(p-ethoxybenzylamino)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCOC1=CC=C(C=C1)CNC2(CCCCC2=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-2-24-19-13-11-17(12-14-19)16-22-21(15-7-6-10-20(21)23)18-8-4-3-5-9-18/h3-5,8-9,11-14,22H,2,6-7,10,15-16H2,1H3
InChIKey
KBNZJYFNISGGQH-UHFFFAOYSA-N
Compound name
2-[(4-ethoxyphenyl)methylamino]-2-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.6
[M+Na]+ 346.17776 194.1
[M+NH4]+ 341.22236 190.7
[M+K]+ 362.15170 182.8
[M-H]- 322.18126 187.9
[M+Na-2H]- 344.16321 191.7
[M]+ 323.18799 184.8
[M]- 323.18909 184.8
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.