CID 165604386

En300-28258389

Structural Information

Molecular Formula
C19H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-15-11-9-8-10-14(15)12-13-20-24-18(4,5)19(6,7)25-20/h8-13H,1-7H3,(H,21,22)/b13-12+
InChIKey
MPDFXGXOAAODPD-OUKQBFOZSA-N
Compound name
tert-butyl N-[2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21843 179.8
[M+Na]+ 368.20037 186.6
[M-H]- 344.20387 187.9
[M+NH4]+ 363.24497 196.6
[M+K]+ 384.17431 186.6
[M+H-H2O]+ 328.20841 175.3
[M+HCOO]- 390.20935 198.1
[M+CH3COO]- 404.22500 213.3
[M+Na-2H]- 366.18582 184.0
[M]+ 345.21060 184.5
[M]- 345.21170 184.5
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

No patent data available for this compound.