CID 118984357

Oxyclipine

Structural Information

Molecular Formula
C20H29NO3
SMILES
CN1CCC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-18,23H,3,6-8,11-15H2,1H3/t18-,20?/m1/s1
InChIKey
LCFBCKSQWVQIBY-QSVWIEALSA-N
Compound name
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

294
Patents

331.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 181.4
[M+Na]+ 354.203968 181.0
[M-H]- 330.207474 185.7
[M+NH4]+ 349.248573 191.6
[M+K]+ 370.177908 177.6
[M+H-H2O]+ 314.212010 171.8
[M+HCOO]- 376.212951 191.6
[M+CH3COO]- 390.228601 205.4
[M+Na-2H]- 352.189416 181.3
[M]+ 331.21420142 172.6
[M]- 331.21529858 172.6
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

patents stripe