CID 9570415

Acetophenone, 4'-phenyl-2-(piperidinoimino)-

Structural Information

Molecular Formula
C19H20N2O
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c22-19(15-20-21-13-5-2-6-14-21)18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-12,15H,2,5-6,13-14H2/b20-15+
InChIKey
NYBSZOGMJAEAOU-HMMYKYKNSA-N
Compound name
(2E)-1-(4-phenylphenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.6
[M+Na]+ 315.14678 173.0
[M-H]- 291.15028 177.7
[M+NH4]+ 310.19138 182.7
[M+K]+ 331.12072 168.2
[M+H-H2O]+ 275.15482 159.0
[M+HCOO]- 337.15576 190.0
[M+CH3COO]- 351.17141 179.5
[M+Na-2H]- 313.13223 173.4
[M]+ 292.15701 164.6
[M]- 292.15811 164.6
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.