CID 16078295

2-(3,4,5-trimethoxyphenyl)-3-methyl-6-(4-chlorophenyl)-piperidin-4-oxime

Structural Information

Molecular Formula
C21H25ClN2O4
SMILES
CC\1C(NC(C/C1=N\O)C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H25ClN2O4/c1-12-16(24-25)11-17(13-5-7-15(22)8-6-13)23-20(12)14-9-18(26-2)21(28-4)19(10-14)27-3/h5-10,12,17,20,23,25H,11H2,1-4H3/b24-16+
InChIKey
MHDHQDMUETXATE-LFVJCYFKSA-N
Compound name
(NE)-N-[6-(4-chlorophenyl)-3-methyl-2-(3,4,5-trimethoxyphenyl)piperidin-4-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.1503 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15758 196.7
[M+Na]+ 427.13952 204.1
[M-H]- 403.14302 203.8
[M+NH4]+ 422.18412 206.5
[M+K]+ 443.11346 198.4
[M+H-H2O]+ 387.14756 187.4
[M+HCOO]- 449.14850 210.1
[M+CH3COO]- 463.16415 224.4
[M+Na-2H]- 425.12497 195.2
[M]+ 404.14975 199.3
[M]- 404.15085 199.3
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.