CID 59392625

Tert-butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)methyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C20H34BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H34BN3O4/c1-18(2,3)26-17(25)23-10-8-15(9-11-23)13-24-14-16(12-22-24)21-27-19(4,5)20(6,7)28-21/h12,14-15H,8-11,13H2,1-7H3
InChIKey
YYPGKYXUAPSDSQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

391.26425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.27153 190.6
[M+Na]+ 414.25347 196.3
[M-H]- 390.25697 197.5
[M+NH4]+ 409.29807 203.2
[M+K]+ 430.22741 196.8
[M+H-H2O]+ 374.26151 184.1
[M+HCOO]- 436.26245 201.3
[M+CH3COO]- 450.27810 219.0
[M+Na-2H]- 412.23892 189.1
[M]+ 391.26370 193.0
[M]- 391.26480 193.0
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

patents stripe