CID 6540455

26834-29-7

Structural Information

Molecular Formula
C20H27NO2
SMILES
C[C@H]1[C@H](CCN[C@@H]1/C=C/C=C/C2=CC=CC=C2)OC(=O)C(C)C
InChI
InChI=1S/C20H27NO2/c1-15(2)20(22)23-19-13-14-21-18(16(19)3)12-8-7-11-17-9-5-4-6-10-17/h4-12,15-16,18-19,21H,13-14H2,1-3H3/b11-7+,12-8+/t16-,18-,19+/m1/s1
InChIKey
SYBVJCIPFWBZSV-OPIIZPQLSA-N
Compound name
[(2R,3R,4S)-3-methyl-2-[(1E,3E)-4-phenylbuta-1,3-dienyl]piperidin-4-yl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 179.4
[M+Na]+ 336.193418 182.2
[M-H]- 312.196924 181.7
[M+NH4]+ 331.238023 191.6
[M+K]+ 352.167358 176.8
[M+H-H2O]+ 296.201460 170.9
[M+HCOO]- 358.202401 193.6
[M+CH3COO]- 372.218051 204.8
[M+Na-2H]- 334.178866 177.1
[M]+ 313.20365142 175.0
[M]- 313.20474858 175.0
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.