CID 20806728

360792-43-4

Structural Information

Molecular Formula
C19H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCNC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21-13-12-14-8-10-15(11-9-14)20-24-18(4,5)19(6,7)25-20/h8-11H,12-13H2,1-7H3,(H,21,22)
InChIKey
MGDIIQXOACAHIU-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

347.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23406 180.7
[M+Na]+ 370.21600 189.8
[M+NH4]+ 365.26060 189.2
[M+K]+ 386.18994 184.1
[M-H]- 346.21950 185.0
[M+Na-2H]- 368.20145 186.6
[M]+ 347.22623 183.5
[M]- 347.22733 183.5
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