CID 155819639

En300-26682686

Structural Information

Molecular Formula
C20H32BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H32BNO5/c1-14(22-17(23)25-18(2,3)4)13-24-16-11-9-10-15(12-16)21-26-19(5,6)20(7,8)27-21/h9-12,14H,13H2,1-8H3,(H,22,23)
InChIKey
BESWZADKBDWLGG-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23737 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24465 187.9
[M+Na]+ 400.22659 193.3
[M-H]- 376.23009 195.8
[M+NH4]+ 395.27119 203.2
[M+K]+ 416.20053 195.1
[M+H-H2O]+ 360.23463 183.4
[M+HCOO]- 422.23557 204.8
[M+CH3COO]- 436.25122 220.7
[M+Na-2H]- 398.21204 190.8
[M]+ 377.23682 194.6
[M]- 377.23792 194.6
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.