CID 129958740

1350543-63-3

Structural Information

Molecular Formula
C20H32BN3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-10-8-14(9-11-24)16-22-12-15(13-23-16)21-27-19(4,5)20(6,7)28-21/h12-14H,8-11H2,1-7H3
InChIKey
ASXWQYPUOKPHOZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

389.2486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.25588 190.4
[M+Na]+ 412.23782 200.5
[M+NH4]+ 407.28242 197.8
[M+K]+ 428.21176 195.6
[M-H]- 388.24132 194.5
[M+Na-2H]- 410.22327 196.2
[M]+ 389.24805 193.2
[M]- 389.24915 193.2
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