CID 16078294

2-(3,4-dimethoxyphenyl)-3-methyl-6-(4-chlorophenyl)-piperidin-4-oxime

Structural Information

Molecular Formula
C20H23ClN2O3
SMILES
CC\1C(NC(C/C1=N\O)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H23ClN2O3/c1-12-16(23-24)11-17(13-4-7-15(21)8-5-13)22-20(12)14-6-9-18(25-2)19(10-14)26-3/h4-10,12,17,20,22,24H,11H2,1-3H3/b23-16+
InChIKey
JJZSTUANTBDXGE-XQNSMLJCSA-N
Compound name
(NE)-N-[6-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1397 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14698 189.5
[M+Na]+ 397.12892 196.7
[M-H]- 373.13242 196.4
[M+NH4]+ 392.17352 200.4
[M+K]+ 413.10286 190.3
[M+H-H2O]+ 357.13696 180.4
[M+HCOO]- 419.13790 203.2
[M+CH3COO]- 433.15355 217.8
[M+Na-2H]- 395.11437 189.1
[M]+ 374.13915 190.0
[M]- 374.14025 190.0
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.