CID 45480279

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

Structural Information

Molecular Formula
C19H32BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3
InChIKey
QSQWENQPOSRWLP-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1025
Patents

377.2486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25588 186.3
[M+Na]+ 400.23782 192.4
[M-H]- 376.24132 193.4
[M+NH4]+ 395.28242 199.4
[M+K]+ 416.21176 193.2
[M+H-H2O]+ 360.24586 179.9
[M+HCOO]- 422.24680 197.3
[M+CH3COO]- 436.26245 216.1
[M+Na-2H]- 398.22327 185.3
[M]+ 377.24805 188.3
[M]- 377.24915 188.3
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