CID 3077680

T 794

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)C=C(C=C3)OCC4CC4
InChI
InChI=1S/C19H21NO4/c1-22-12-18-10-20(19(21)24-18)16-6-4-15-9-17(7-5-14(15)8-16)23-11-13-2-3-13/h4-9,13,18H,2-3,10-12H2,1H3/t18-/m1/s1
InChIKey
XAXTWAITSPEFMU-GOSISDBHSA-N
Compound name
(5R)-3-[6-(cyclopropylmethoxy)naphthalen-2-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

327.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 178.2
[M+Na]+ 350.13628 192.9
[M+NH4]+ 345.18088 186.6
[M+K]+ 366.11022 188.7
[M-H]- 326.13978 190.8
[M+Na-2H]- 348.12173 186.1
[M]+ 327.14651 185.0
[M]- 327.14761 185.0
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