CID 17998903

N-[2-hydroxyethyl]benzamide-3-boronic acid, pinacol ester

Structural Information

Molecular Formula
C15H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCCO
InChI
InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-5-6-11(10-12)13(19)17-8-9-18/h5-7,10,18H,8-9H2,1-4H3,(H,17,19)
InChIKey
UGQVQMMBKIVZDS-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

291.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.17146 164.9
[M+Na]+ 314.15340 172.1
[M-H]- 290.15690 172.0
[M+NH4]+ 309.19800 183.0
[M+K]+ 330.12734 172.0
[M+H-H2O]+ 274.16144 160.3
[M+HCOO]- 336.16238 184.3
[M+CH3COO]- 350.17803 201.2
[M+Na-2H]- 312.13885 169.2
[M]+ 291.16363 167.8
[M]- 291.16473 167.8
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