CID 11997926

144163-85-9

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

230
Patents

384.2413 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.248576 197.4
[M+Na]+ 407.230518 197.2
[M-H]- 383.234024 200.6
[M+NH4]+ 402.275123 206.6
[M+K]+ 423.204458 194.4
[M+H-H2O]+ 367.238560 188.6
[M+HCOO]- 429.239501 213.9
[M+CH3COO]- 443.255151 223.1
[M+Na-2H]- 405.215966 196.2
[M]+ 384.24075142 195.7
[M]- 384.24184858 195.7
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