CID 53217179

1256359-83-7

Structural Information

Molecular Formula
C18H28BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)NC(C)(C)C
InChI
InChI=1S/C18H28BNO3/c1-16(2,3)20-15(21)12-13-8-10-14(11-9-13)19-22-17(4,5)18(6,7)23-19/h8-11H,12H2,1-7H3,(H,20,21)
InChIKey
XRBKWAMLZWELDF-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22350 173.0
[M+Na]+ 340.20544 179.9
[M-H]- 316.20894 181.2
[M+NH4]+ 335.25004 191.0
[M+K]+ 356.17938 180.1
[M+H-H2O]+ 300.21348 168.7
[M+HCOO]- 362.21442 191.2
[M+CH3COO]- 376.23007 210.2
[M+Na-2H]- 338.19089 177.4
[M]+ 317.21567 176.7
[M]- 317.21677 176.7
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

No patent data available for this compound.