CID 2734617

Tert-butyl n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Structural Information

Molecular Formula
C17H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChIKey
HSJNIOYPTSKQBD-UHFFFAOYSA-N
Compound name
tert-butyl N-[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

471
Patents

319.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20278 171.6
[M+Na]+ 342.18472 178.9
[M-H]- 318.18822 180.1
[M+NH4]+ 337.22932 189.6
[M+K]+ 358.15866 180.0
[M+H-H2O]+ 302.19276 167.4
[M+HCOO]- 364.19370 190.4
[M+CH3COO]- 378.20935 208.7
[M+Na-2H]- 340.17017 176.8
[M]+ 319.19495 176.4
[M]- 319.19605 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe