CID 3024649

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

Structural Information

Molecular Formula
C19H20ClNO
SMILES
C1CCC(C(=O)C1)(C2=CC=CC=C2)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO/c20-17-11-9-15(10-12-17)14-21-19(13-5-4-8-18(19)22)16-6-2-1-3-7-16/h1-3,6-7,9-12,21H,4-5,8,13-14H2
InChIKey
NVKMLAREPKYBBX-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12335 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 174.6
[M+Na]+ 336.11257 189.8
[M+NH4]+ 331.15717 185.8
[M+K]+ 352.08651 177.5
[M-H]- 312.11607 182.4
[M+Na-2H]- 334.09802 186.6
[M]+ 313.12280 179.6
[M]- 313.12390 179.6
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.