CID 154699999

Ns00117715

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CC(C(NC1)C2=CC=CC=C2)NCC3=CC(=CCC3=O)O
InChI
InChI=1S/C18H22N2O2/c21-15-8-9-17(22)14(11-15)12-20-16-7-4-10-19-18(16)13-5-2-1-3-6-13/h1-3,5-6,8,11,16,18-21H,4,7,9-10,12H2
InChIKey
UPDRCHOSPNAMLR-UHFFFAOYSA-N
Compound name
4-hydroxy-2-[[(2-phenylpiperidin-3-yl)amino]methyl]cyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 173.1
[M+Na]+ 321.15734 185.1
[M+NH4]+ 316.20194 180.6
[M+K]+ 337.13128 177.5
[M-H]- 297.16084 178.5
[M+Na-2H]- 319.14279 180.6
[M]+ 298.16757 176.1
[M]- 298.16867 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.