CID 5288987

[(2-ethoxy-1-naphthoyl)amino]methylboronic acid

Structural Information

Molecular Formula
C14H16BNO4
SMILES
B(CNC(=O)C1=C(C=CC2=CC=CC=C21)OCC)(O)O
InChI
InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
InChIKey
VGXJNGVFESCMME-UHFFFAOYSA-N
Compound name
[(2-ethoxynaphthalene-1-carbonyl)amino]methylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

273.11725 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12453 159.6
[M+Na]+ 296.10647 165.4
[M-H]- 272.10997 161.2
[M+NH4]+ 291.15107 175.1
[M+K]+ 312.08041 162.5
[M+H-H2O]+ 256.11451 152.9
[M+HCOO]- 318.11545 179.1
[M+CH3COO]- 332.13110 197.2
[M+Na-2H]- 294.09192 163.8
[M]+ 273.11670 160.4
[M]- 273.11780 160.4
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