CID 46739045

1073355-06-2

Structural Information

Molecular Formula
C18H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCC3CCCO3
InChI
InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)14-8-5-7-13(11-14)16(21)20-12-15-9-6-10-22-15/h5,7-8,11,15H,6,9-10,12H2,1-4H3,(H,20,21)
InChIKey
KHXJYLFLGVPADA-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20278 176.3
[M+Na]+ 354.18472 181.8
[M-H]- 330.18822 187.7
[M+NH4]+ 349.22932 193.2
[M+K]+ 370.15866 182.7
[M+H-H2O]+ 314.19276 171.8
[M+HCOO]- 376.19370 194.4
[M+CH3COO]- 390.20935 209.7
[M+Na-2H]- 352.17017 177.8
[M]+ 331.19495 178.0
[M]- 331.19605 178.0
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.