CID 59392625

1092563-72-8

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

38
Patents

391.26425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.27153 189.8
[M+Na]+ 414.25347 197.8
[M+NH4]+ 409.29807 196.9
[M+K]+ 430.22741 195.5
[M-H]- 390.25697 192.9
[M+Na-2H]- 412.23892 194.0
[M]+ 391.26370 191.9
[M]- 391.26480 191.9
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