CID 23652732

Genz-123346

Structural Information

Molecular Formula
C24H38N2O4
SMILES
CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O
InChI
InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24-/m1/s1
InChIKey
JMNXWOFCUJJYEO-HYBUGGRVSA-N
Compound name
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

145
Patents

418.28317 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.29045 207.6
[M+Na]+ 441.27239 213.7
[M+NH4]+ 436.31699 212.2
[M+K]+ 457.24633 210.5
[M-H]- 417.27589 211.3
[M+Na-2H]- 439.25784 206.9
[M]+ 418.28262 209.0
[M]- 418.28372 209.0
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