CID 449487

L-1-naphthyl-2-acetamido-ethane boronic acid

Structural Information

Molecular Formula
C14H17BNO4
SMILES
[B-]([C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)C)(O)(O)O
InChI
InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
InChIKey
XDFLCBUAVBYWFW-AWEZNQCLSA-N
Compound name
[(1R)-1-acetamido-2-naphthalen-1-ylethyl]-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13234 156.6
[M+Na]+ 297.11428 160.7
[M-H]- 273.11778 155.0
[M+NH4]+ 292.15888 170.5
[M+K]+ 313.08822 157.4
[M+H-H2O]+ 257.12232 153.1
[M+HCOO]- 319.12326 172.4
[M+CH3COO]- 333.13891 190.5
[M+Na-2H]- 295.09973 161.4
[M]+ 274.12451 152.2
[M]- 274.12561 152.2
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

No patent data available for this compound.