CID 3024643

Cyclohexanone, 2-phenyl-2-((2-phenylethyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CCC(C(=O)C1)(C2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c22-19-13-7-8-15-20(19,18-11-5-2-6-12-18)21-16-14-17-9-3-1-4-10-17/h1-6,9-12,21H,7-8,13-16H2
InChIKey
IABKAFBZJBTUNL-UHFFFAOYSA-N
Compound name
2-phenyl-2-(2-phenylethylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.2
[M+Na]+ 316.16720 174.8
[M-H]- 292.17070 179.5
[M+NH4]+ 311.21180 187.2
[M+K]+ 332.14114 169.5
[M+H-H2O]+ 276.17524 161.9
[M+HCOO]- 338.17618 192.0
[M+CH3COO]- 352.19183 181.2
[M+Na-2H]- 314.15265 176.0
[M]+ 293.17743 166.0
[M]- 293.17853 166.0
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.