CID 9578565

24342-50-5

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c22-19(15-20-21-13-5-2-6-14-21)16-9-11-18(12-10-16)23-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14H2/b20-15+
InChIKey
VTLFTZITBCZVNL-HMMYKYKNSA-N
Compound name
(2E)-1-(4-phenoxyphenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.7
[M+Na]+ 331.141688 175.9
[M-H]- 307.145194 180.7
[M+NH4]+ 326.186293 185.0
[M+K]+ 347.115628 171.8
[M+H-H2O]+ 291.149730 161.8
[M+HCOO]- 353.150671 193.3
[M+CH3COO]- 367.166321 207.8
[M+Na-2H]- 329.127136 176.6
[M]+ 308.15192142 169.1
[M]- 308.15301858 169.1
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.