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 170.8
[M+Na]+ 321.15734 174.0
[M-H]- 297.16084 175.2
[M+NH4]+ 316.20194 182.1
[M+K]+ 337.13128 167.9
[M+H-H2O]+ 281.16538 161.3
[M+HCOO]- 343.16632 186.6
[M+CH3COO]- 357.18197 179.1
[M+Na-2H]- 319.14279 172.7
[M]+ 298.16757 162.3
[M]- 298.16867 162.3
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.