CID 452446

Chembl9735

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C([C@H](CC2=CC=CC=C2)NC(=O)C)O
InChI
InChI=1S/C21H26N2O3/c1-15(24)22-19(13-17-9-5-3-6-10-17)21(26)20(23-16(2)25)14-18-11-7-4-8-12-18/h3-12,19-21,26H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t19-,20-/m0/s1
InChIKey
JQWQQDDZJGLLET-PMACEKPBSA-N
Compound name
N-[(2S,4S)-4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 188.3
[M+Na]+ 377.183558 188.5
[M-H]- 353.187064 192.1
[M+NH4]+ 372.228163 198.5
[M+K]+ 393.157498 185.7
[M+H-H2O]+ 337.191600 179.2
[M+HCOO]- 399.192541 206.8
[M+CH3COO]- 413.208191 218.2
[M+Na-2H]- 375.169006 186.9
[M]+ 354.19379142 186.0
[M]- 354.19488858 186.0
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

No patent data available for this compound.