CID 53397083

374715-24-9

Structural Information

Molecular Formula
C16H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C3=CC=CC=C3)C
InChI
InChI=1S/C16H20BNO3/c1-11-13(17-20-15(2,3)16(4,5)21-17)14(18-19-11)12-9-7-6-8-10-12/h6-10H,1-5H3
InChIKey
YFEHXVPDKIFJTG-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

285.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16091 159.5
[M+Na]+ 308.14285 173.2
[M+NH4]+ 303.18745 170.2
[M+K]+ 324.11679 168.1
[M-H]- 284.14635 167.9
[M+Na-2H]- 306.12830 168.3
[M]+ 285.15308 164.4
[M]- 285.15418 164.4
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