CID 497928

N-[(1s,2s,4s,7s)-1-benzyl-4-butyl-2,8-dimethyl-6-oxo-7-(2-oxotetrahydropyrimidin-1(2h)-yl)nonyl]-2-(2,6-dimethylphenoxy)acetamide-

Structural Information

Molecular Formula
C35H51N3O5
SMILES
CCCC[C@@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)COC2=C(C=CC=C2C)C)O)CC(=O)[C@H](C(C)C)N3CCCNC3=O
InChI
InChI=1S/C35H51N3O5/c1-6-7-15-28(22-31(40)33(24(2)3)38-19-12-18-36-35(38)42)21-30(39)29(20-27-16-9-8-10-17-27)37-32(41)23-43-34-25(4)13-11-14-26(34)5/h8-11,13-14,16-17,24,28-30,33,39H,6-7,12,15,18-23H2,1-5H3,(H,36,42)(H,37,41)/t28-,29-,30-,33-/m0/s1
InChIKey
MUKOZUJQRGYUNP-ZGDGUDBWSA-N
Compound name
N-[(2S,3S,5S,8S)-5-butyl-3-hydroxy-9-methyl-7-oxo-8-(2-oxo-1,3-diazinan-1-yl)-1-phenyldecan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

593.3829 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.39018 247.2
[M+Na]+ 616.37212 241.5
[M-H]- 592.37562 248.0
[M+NH4]+ 611.41672 243.9
[M+K]+ 632.34606 237.9
[M+H-H2O]+ 576.38016 235.4
[M+HCOO]- 638.38110 251.4
[M+CH3COO]- 652.39675 263.5
[M+Na-2H]- 614.35757 235.3
[M]+ 593.38235 245.2
[M]- 593.38345 245.2
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.