CID 447454

Nbf

Structural Information

Molecular Formula
C14H17BNO5
SMILES
[B-](CNC(=O)C1=C(C=CC2=CC=CC=C21)OCC)(O)(O)O
InChI
InChI=1S/C14H17BNO5/c1-2-21-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18,19)20/h3-8,18-20H,2,9H2,1H3,(H,16,17)/q-1
InChIKey
CRXTUNQSENPIIU-UHFFFAOYSA-N
Compound name
[(2-ethoxynaphthalene-1-carbonyl)amino]methyl-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11996 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12724 162.7
[M+Na]+ 313.10918 171.7
[M+NH4]+ 308.15378 167.6
[M+K]+ 329.08312 169.2
[M-H]- 289.11268 161.7
[M+Na-2H]- 311.09463 165.2
[M]+ 290.11941 163.0
[M]- 290.12051 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.