CID 71259277

1423162-07-5

Structural Information

Molecular Formula
C17H28BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C3CN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H28BN3O4/c1-15(2,3)23-14(22)20-10-12(11-20)21-9-8-13(19-21)18-24-16(4,5)17(6,7)25-18/h8-9,12H,10-11H2,1-7H3
InChIKey
LIAOEUXSQREPOS-UHFFFAOYSA-N
Compound name
tert-butyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

349.2173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22458 178.1
[M+Na]+ 372.20652 182.4
[M+NH4]+ 367.25112 181.3
[M+K]+ 388.18046 182.5
[M-H]- 348.21002 177.8
[M+Na-2H]- 370.19197 180.0
[M]+ 349.21675 177.6
[M]- 349.21785 177.6
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

patents stripe