CID 138319683

2285330-15-4

Structural Information

Molecular Formula
C17H20BNO5
SMILES
B([C@H](CC1=COC2=CC=CC=C21)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O
InChI
InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1
InChIKey
RFQDLTYXNINJON-OYNZBZHQSA-N
Compound name
[(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

26
Patents

329.14346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15074 173.1
[M+Na]+ 352.13268 179.8
[M+NH4]+ 347.17728 179.8
[M+K]+ 368.10662 182.9
[M-H]- 328.13618 176.0
[M+Na-2H]- 350.11813 172.2
[M]+ 329.14291 174.4
[M]- 329.14401 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