CID 165949550

En300-33049783

Structural Information

Molecular Formula
C18H26BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)NC(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C18H26BNO5/c1-16(2,3)23-15(22)20-14-9-12(11-21)8-13(10-14)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3,(H,20,22)
InChIKey
ILLBEKITIKPQKH-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-formyl-5-(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

0
Patents

347.1904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19768 176.4
[M+Na]+ 370.17962 184.3
[M-H]- 346.18312 185.1
[M+NH4]+ 365.22422 193.4
[M+K]+ 386.15356 185.3
[M+H-H2O]+ 330.18766 172.5
[M+HCOO]- 392.18860 195.2
[M+CH3COO]- 406.20425 214.5
[M+Na-2H]- 368.16507 181.0
[M]+ 347.18985 182.8
[M]- 347.19095 182.8
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.