CID 3047810

Panamesine

Structural Information

Molecular Formula
C23H26N2O6
SMILES
COC1=CC=C(C=C1)N2C[C@@H](OC2=O)CN3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C23H26N2O6/c1-28-18-5-3-17(4-6-18)25-14-19(31-22(25)26)13-24-10-8-23(27,9-11-24)16-2-7-20-21(12-16)30-15-29-20/h2-7,12,19,27H,8-11,13-15H2,1H3/t19-/m0/s1
InChIKey
NINYZUDVKTUKIA-IBGZPJMESA-N
Compound name
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

264
Patents

426.17908 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.18636 199.0
[M+Na]+ 449.16830 210.6
[M+NH4]+ 444.21290 206.2
[M+K]+ 465.14224 207.9
[M-H]- 425.17180 207.5
[M+Na-2H]- 447.15375 203.3
[M]+ 426.17853 203.1
[M]- 426.17963 203.1
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