CID 2773617

3-(tert-butoxycarbonylamino)phenyl-boronic acid pinacol ester

Structural Information

Molecular Formula
C17H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChIKey
ANQAOGOIWVMGCH-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

319.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20278 171.6
[M+Na]+ 342.18472 178.9
[M-H]- 318.18822 180.1
[M+NH4]+ 337.22932 189.6
[M+K]+ 358.15866 180.0
[M+H-H2O]+ 302.19276 167.4
[M+HCOO]- 364.19370 190.4
[M+CH3COO]- 378.20935 208.7
[M+Na-2H]- 340.17017 176.8
[M]+ 319.19495 176.4
[M]- 319.19605 176.4
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