CID 11997926

169870-02-4

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)N)O
InChI
InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1
InChIKey
UKFHOTNATOJBKZ-ACRUOGEOSA-N
Compound name
tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

384.2413 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 197.5
[M+Na]+ 407.23052 205.0
[M+NH4]+ 402.27512 202.3
[M+K]+ 423.20446 200.6
[M-H]- 383.23402 199.8
[M+Na-2H]- 405.21597 202.2
[M]+ 384.24075 198.8
[M]- 384.24185 198.8
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

patents stripe