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]+ 318.223496 173.0
[M+Na]+ 340.205438 179.9
[M-H]- 316.208944 181.2
[M+NH4]+ 335.250043 191.0
[M+K]+ 356.179378 180.1
[M+H-H2O]+ 300.213480 168.7
[M+HCOO]- 362.214421 191.2
[M+CH3COO]- 376.230071 210.2
[M+Na-2H]- 338.190886 177.4
[M]+ 317.21567142 176.7
[M]- 317.21676858 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.