CID 5483842

A 74273

Structural Information

Molecular Formula
C44H74N4O8
SMILES
CCCC[C@@H](C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCCCN2CCOCC2)O)O[C@@H](CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC
InChI
InChI=1S/C44H74N4O8/c1-5-6-18-40(56-41(30-35-16-11-8-12-17-35)44(52)48-23-19-36(20-24-48)55-32-53-4)43(51)46-38(29-34-14-9-7-10-15-34)39(49)31-37(33(2)3)42(50)45-21-13-22-47-25-27-54-28-26-47/h8,11-12,16-17,33-34,36-41,49H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,50)(H,46,51)/t37?,38?,39?,40-,41-/m0/s1
InChIKey
NVMVSIUABPBQIL-UOKFUGOKSA-N
Compound name
6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-N-(3-morpholin-4-ylpropyl)-2-propan-2-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

786.55066 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.55794 280.8
[M+Na]+ 809.53988 278.0
[M+NH4]+ 804.58448 278.2
[M+K]+ 825.51382 277.6
[M-H]- 785.54338 282.6
[M+Na-2H]- 807.52533 277.5
[M]+ 786.55011 279.5
[M]- 786.55121 279.5
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

No patent data available for this compound.