CID 5387458

N-cinnamoyl loline

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(C1C2CN3C1C(O2)CC3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C17H20N2O2/c1-18(15(20)8-7-12-5-3-2-4-6-12)16-14-11-19-10-9-13(21-14)17(16)19/h2-8,13-14,16-17H,9-11H2,1H3/b8-7+
InChIKey
ALEFCBNVSYHVGL-BQYQJAHWSA-N
Compound name
(E)-N-methyl-N-(2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.1
[M+Na]+ 307.14169 173.1
[M-H]- 283.14519 174.7
[M+NH4]+ 302.18629 189.3
[M+K]+ 323.11563 171.4
[M+H-H2O]+ 267.14973 162.4
[M+HCOO]- 329.15067 186.5
[M+CH3COO]- 343.16632 179.4
[M+Na-2H]- 305.12714 167.3
[M]+ 284.15192 169.4
[M]- 284.15302 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.