CID 3024645

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

Structural Information

Molecular Formula
C20H23NO2
SMILES
COC1=CC=C(C=C1)CNC2(CCCCC2=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-23-18-12-10-16(11-13-18)15-21-20(14-6-5-9-19(20)22)17-7-3-2-4-8-17/h2-4,7-8,10-13,21H,5-6,9,14-15H2,1H3
InChIKey
LVJQGULTSAMCTG-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylamino]-2-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 176.1
[M+Na]+ 332.16210 189.8
[M+NH4]+ 327.20670 186.4
[M+K]+ 348.13604 178.7
[M-H]- 308.16560 183.4
[M+Na-2H]- 330.14755 187.5
[M]+ 309.17233 180.4
[M]- 309.17343 180.4
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.