CID 129984305

1447764-19-3

Structural Information

Molecular Formula
C16H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-11-19(18-14)12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKey
IFESKBYSPSREFN-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

284.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17690 161.1
[M+Na]+ 307.15884 170.6
[M-H]- 283.16234 170.3
[M+NH4]+ 302.20344 179.3
[M+K]+ 323.13278 169.6
[M+H-H2O]+ 267.16688 154.1
[M+HCOO]- 329.16782 180.8
[M+CH3COO]- 343.18347 174.2
[M+Na-2H]- 305.14429 164.3
[M]+ 284.16907 164.4
[M]- 284.17017 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