CID 5481613

(2r,4s,5r)-2-benzyl-5-(cyclohexylmethyl)-4-hydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]-7-oxo-8-tetrahydrofuran-3-yl-octanamide

Structural Information

Molecular Formula
C35H47NO5
SMILES
C1CCC(CC1)C[C@H](CC(=O)CC2CCOC2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI
InChI=1S/C35H47NO5/c37-30(19-26-15-16-41-23-26)20-28(17-24-9-3-1-4-10-24)32(38)22-29(18-25-11-5-2-6-12-25)35(40)36-34-31-14-8-7-13-27(31)21-33(34)39/h2,5-8,11-14,24,26,28-29,32-34,38-39H,1,3-4,9-10,15-23H2,(H,36,40)/t26?,28-,29-,32+,33-,34+/m1/s1
InChIKey
DMZHGFGMNFCFIK-HRIJUFOUSA-N
Compound name
(2R,4S,5R)-2-benzyl-5-(cyclohexylmethyl)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-oxo-8-(oxolan-3-yl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.3454 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.35268 237.5
[M+Na]+ 584.33462 230.2
[M-H]- 560.33812 245.1
[M+NH4]+ 579.37922 240.6
[M+K]+ 600.30856 227.1
[M+H-H2O]+ 544.34266 228.9
[M+HCOO]- 606.34360 243.1
[M+CH3COO]- 620.35925 251.1
[M+Na-2H]- 582.32007 225.5
[M]+ 561.34485 230.0
[M]- 561.34595 230.0
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.