CID 44119571

913835-44-6

Structural Information

Molecular Formula
C13H19BN2O4
SMILES
B(C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCO)(O)O
InChI
InChI=1S/C13H19BN2O4/c17-10-9-15-5-7-16(8-6-15)13(18)11-1-3-12(4-2-11)14(19)20/h1-4,17,19-20H,5-10H2
InChIKey
PKQLDPHGOUXRBL-UHFFFAOYSA-N
Compound name
[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

278.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15108 164.6
[M+Na]+ 301.13302 173.8
[M+NH4]+ 296.17762 169.5
[M+K]+ 317.10696 170.3
[M-H]- 277.13652 164.3
[M+Na-2H]- 299.11847 167.8
[M]+ 278.14325 165.3
[M]- 278.14435 165.3
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