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]+ 324.195816 178.8
[M+Na]+ 346.177758 182.7
[M-H]- 322.181264 187.2
[M+NH4]+ 341.222363 193.7
[M+K]+ 362.151698 177.9
[M+H-H2O]+ 306.185800 169.2
[M+HCOO]- 368.186741 199.4
[M+CH3COO]- 382.202391 209.9
[M+Na-2H]- 344.163206 182.4
[M]+ 323.18799142 175.7
[M]- 323.18908858 175.7
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.