CID 2760591

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

Structural Information

Molecular Formula
C18H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-9-8-10-14(11-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21)
InChIKey
ANBFXKONRFZJAO-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 176.2
[M+Na]+ 356.20037 183.1
[M-H]- 332.20387 184.5
[M+NH4]+ 351.24497 193.6
[M+K]+ 372.17431 184.0
[M+H-H2O]+ 316.20841 171.9
[M+HCOO]- 378.20935 194.6
[M+CH3COO]- 392.22500 211.7
[M+Na-2H]- 354.18582 180.9
[M]+ 333.21060 181.4
[M]- 333.21170 181.4
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