CID 9902339

Dtxsid10432611

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChIKey
NVEPLQDORJSXRO-DLBZAZTESA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

336.2413 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 186.9
[M+Na]+ 359.23052 187.4
[M-H]- 335.23402 187.6
[M+NH4]+ 354.27512 198.9
[M+K]+ 375.20446 186.1
[M+H-H2O]+ 319.23856 179.4
[M+HCOO]- 381.23950 203.9
[M+CH3COO]- 395.25515 215.9
[M+Na-2H]- 357.21597 185.9
[M]+ 336.24075 187.3
[M]- 336.24185 187.3
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

patents stripe