CID 134819126

446299-81-6

Structural Information

Molecular Formula
C14H15BN2O3
SMILES
B(C1=CC(=C(N=C1)N(C)C(=O)C2=CC=CC=C2)C)(O)O
InChI
InChI=1S/C14H15BN2O3/c1-10-8-12(15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3
InChIKey
GQPKXFCXPPHXQJ-UHFFFAOYSA-N
Compound name
[6-[benzoyl(methyl)amino]-5-methylpyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11758 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12486 160.0
[M+Na]+ 293.10680 166.0
[M-H]- 269.11030 164.3
[M+NH4]+ 288.15140 173.7
[M+K]+ 309.08074 163.7
[M+H-H2O]+ 253.11484 151.7
[M+HCOO]- 315.11578 180.2
[M+CH3COO]- 329.13143 199.2
[M+Na-2H]- 291.09225 162.8
[M]+ 270.11703 159.8
[M]- 270.11813 159.8
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

patents stripe