CID 167727377

En300-45186726

Structural Information

Molecular Formula
C19H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N(C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C19H30BNO4/c1-13-12-14(21(9)16(22)23-17(2,3)4)10-11-15(13)20-24-18(5,6)19(7,8)25-20/h10-12H,1-9H3
InChIKey
WYYHBCUZRRQXLU-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[3-methyl-4-(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

0
Patents

347.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23406 179.1
[M+Na]+ 370.21600 188.8
[M+NH4]+ 365.26060 187.8
[M+K]+ 386.18994 183.9
[M-H]- 346.21950 183.8
[M+Na-2H]- 368.20145 185.2
[M]+ 347.22623 182.2
[M]- 347.22733 182.2
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.