CID 5494858

(2r,3r)-1,4-bis[[(1r)-1-phenylethyl]amino]butane-2,3-diol

Structural Information

Molecular Formula
C20H28N2O2
SMILES
C[C@H](C1=CC=CC=C1)NC[C@H]([C@@H](CN[C@H](C)C2=CC=CC=C2)O)O
InChI
InChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3/t15-,16-,19-,20-/m1/s1
InChIKey
YYRPYLTZDMTOFU-XNFNUYLZSA-N
Compound name
(2R,3R)-1,4-bis[[(1R)-1-phenylethyl]amino]butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.2151 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 181.9
[M+Na]+ 351.20432 181.8
[M-H]- 327.20782 184.3
[M+NH4]+ 346.24892 192.7
[M+K]+ 367.17826 178.3
[M+H-H2O]+ 311.21236 173.3
[M+HCOO]- 373.21330 199.6
[M+CH3COO]- 387.22895 212.7
[M+Na-2H]- 349.18977 181.8
[M]+ 328.21455 178.3
[M]- 328.21565 178.3
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.