CID 3008317

Tert-butyl n-[(1s,2s)-1-benzyl-2-[(2r,3r)-3-benzyloxiran-2-yl]-2-hydroxy-ethyl]carbamate

Structural Information

Molecular Formula
C23H29NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]([C@@H]2[C@H](O2)CC3=CC=CC=C3)O
InChI
InChI=1S/C23H29NO4/c1-23(2,3)28-22(26)24-18(14-16-10-6-4-7-11-16)20(25)21-19(27-21)15-17-12-8-5-9-13-17/h4-13,18-21,25H,14-15H2,1-3H3,(H,24,26)/t18-,19+,20-,21-/m0/s1
InChIKey
SADRSFNNSAZDJB-WOZUAGRISA-N
Compound name
tert-butyl N-[(1S,2S)-1-[(2R,3R)-3-benzyloxiran-2-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 186.4
[M+Na]+ 406.19888 190.4
[M-H]- 382.20238 195.1
[M+NH4]+ 401.24348 190.9
[M+K]+ 422.17282 188.1
[M+H-H2O]+ 366.20692 178.1
[M+HCOO]- 428.20786 203.7
[M+CH3COO]- 442.22351 221.3
[M+Na-2H]- 404.18433 188.5
[M]+ 383.20911 190.9
[M]- 383.21021 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.