CID 10969286

143527-70-2

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChIKey
VAHXMEZCPGHDBJ-QWHCGFSZSA-N
Compound name
(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

321.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 173.1
[M+Na]+ 344.14684 182.0
[M+NH4]+ 339.19144 179.1
[M+K]+ 360.12078 179.8
[M-H]- 320.15034 173.8
[M+Na-2H]- 342.13229 176.8
[M]+ 321.15707 174.4
[M]- 321.15817 174.4
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