CID 71755791

1486485-39-5

Structural Information

Molecular Formula
C16H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3C=CN=C3
InChI
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-7-5-6-13(10-14)11-19-9-8-18-12-19/h5-10,12H,11H2,1-4H3
InChIKey
FGGDEKJYKHIKDP-UHFFFAOYSA-N
Compound name
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17690 162.0
[M+Na]+ 307.15884 175.3
[M+NH4]+ 302.20344 172.6
[M+K]+ 323.13278 169.3
[M-H]- 283.16234 168.7
[M+Na-2H]- 305.14429 171.4
[M]+ 284.16907 166.2
[M]- 284.17017 166.2
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.