CID 486266

(2s)-2-[(2-{[(1s)-2-hydroxy-1-benzylethyl]amino}ethyl)amino]-3-phenylpropan-1-ol

Structural Information

Molecular Formula
C20H28N2O2
SMILES
C1=CC=C(C=C1)C[C@@H](CO)NCCN[C@@H](CC2=CC=CC=C2)CO
InChI
InChI=1S/C20H28N2O2/c23-15-19(13-17-7-3-1-4-8-17)21-11-12-22-20(16-24)14-18-9-5-2-6-10-18/h1-10,19-24H,11-16H2/t19-,20-/m0/s1
InChIKey
GKXQUUSWUBOZHX-PMACEKPBSA-N
Compound name
(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]ethylamino]-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.2151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.4
[M+Na]+ 351.20432 180.8
[M-H]- 327.20782 182.6
[M+NH4]+ 346.24892 191.3
[M+K]+ 367.17826 176.0
[M+H-H2O]+ 311.21236 171.4
[M+HCOO]- 373.21330 200.1
[M+CH3COO]- 387.22895 210.8
[M+Na-2H]- 349.18977 182.8
[M]+ 328.21455 177.9
[M]- 328.21565 177.9
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.