CID 44119394

957060-89-8

Structural Information

Molecular Formula
C13H19BN2O4
SMILES
B(C1=CC(=CC=C1)C(=O)NCCN2CCOCC2)(O)O
InChI
InChI=1S/C13H19BN2O4/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16/h1-3,10,18-19H,4-9H2,(H,15,17)
InChIKey
VNYOQQCZFZATKV-UHFFFAOYSA-N
Compound name
[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 173.3
[M+NH4]+ 296.17762 170.0
[M+K]+ 317.10696 169.7
[M-H]- 277.13652 167.1
[M+Na-2H]- 299.11847 168.2
[M]+ 278.14325 166.0
[M]- 278.14435 166.0
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

patents stripe