CID 5494860

2,3-dihydroxy-n,n'-bis-(1-phenyl-ethyl)-succinamide

Structural Information

Molecular Formula
C20H24N2O4
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]([C@@H](C(=O)N[C@@H](C)C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13-,14-,17-,18-/m0/s1
InChIKey
VZSJUBSKKNIJEU-USJZOSNVSA-N
Compound name
(2S,3S)-2,3-dihydroxy-N,N'-bis[(1S)-1-phenylethyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 186.2
[M+Na]+ 379.16282 186.0
[M-H]- 355.16632 188.8
[M+NH4]+ 374.20742 195.4
[M+K]+ 395.13676 184.0
[M+H-H2O]+ 339.17086 177.6
[M+HCOO]- 401.17180 202.7
[M+CH3COO]- 415.18745 216.3
[M+Na-2H]- 377.14827 183.9
[M]+ 356.17305 182.6
[M]- 356.17415 182.6
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.