CID 77295

Piperidine, 1-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C15H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCCC2
InChI
InChI=1S/C15H21NO4/c1-18-12-9-11(10-13(19-2)14(12)20-3)15(17)16-7-5-4-6-8-16/h9-10H,4-8H2,1-3H3
InChIKey
MDFLEQBDVHQKNX-UHFFFAOYSA-N
Compound name
piperidin-1-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

279.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 164.1
[M+Na]+ 302.136278 169.7
[M-H]- 278.139784 168.9
[M+NH4]+ 297.180883 178.7
[M+K]+ 318.110218 168.4
[M+H-H2O]+ 262.144320 155.7
[M+HCOO]- 324.145261 182.5
[M+CH3COO]- 338.160911 199.8
[M+Na-2H]- 300.121726 165.5
[M]+ 279.14651142 165.3
[M]- 279.14760858 165.3
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

patents stripe