CID 16078291

2-(4-hydroxyphenyl)-3-methyl-6-(4-chlorophenyl)-piperidin-4-oxime

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CC\1C(NC(C/C1=N\O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H19ClN2O2/c1-11-16(21-23)10-17(12-2-6-14(19)7-3-12)20-18(11)13-4-8-15(22)9-5-13/h2-9,11,17-18,20,22-23H,10H2,1H3/b21-16+
InChIKey
DMCOFBDJJRITEQ-LTGZKZEYSA-N
Compound name
4-[(4E)-6-(4-chlorophenyl)-4-hydroxyimino-3-methylpiperidin-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.7
[M+Na]+ 353.10272 184.7
[M-H]- 329.10622 183.2
[M+NH4]+ 348.14732 189.5
[M+K]+ 369.07666 177.1
[M+H-H2O]+ 313.11076 169.4
[M+HCOO]- 375.11170 190.4
[M+CH3COO]- 389.12735 187.0
[M+Na-2H]- 351.08817 178.6
[M]+ 330.11295 173.9
[M]- 330.11405 173.9
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.