CID 44119539

4-(pyridin-2-yl)aminocarbonylphenylboronic acid

Structural Information

Molecular Formula
C12H11BN2O3
SMILES
B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2)(O)O
InChI
InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N
Compound name
[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

242.08627 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09355 151.2
[M+Na]+ 265.07549 157.0
[M-H]- 241.07899 154.0
[M+NH4]+ 260.12009 165.1
[M+K]+ 281.04943 153.6
[M+H-H2O]+ 225.08353 143.2
[M+HCOO]- 287.08447 171.6
[M+CH3COO]- 301.10012 188.7
[M+Na-2H]- 263.06094 156.5
[M]+ 242.08572 148.6
[M]- 242.08682 148.6
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