CID 91798600

1-(1-methylethyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C18H30BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(C)C
InChI
InChI=1S/C18H30BN3O2/c1-14(2)21-9-11-22(12-10-21)16-8-7-15(13-20-16)19-23-17(3,4)18(5,6)24-19/h7-8,13-14H,9-12H2,1-6H3
InChIKey
TYHGWMPAZRYODJ-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2431 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.25038 179.1
[M+Na]+ 354.23232 185.4
[M-H]- 330.23582 185.6
[M+NH4]+ 349.27692 192.0
[M+K]+ 370.20626 184.7
[M+H-H2O]+ 314.24036 169.9
[M+HCOO]- 376.24130 190.4
[M+CH3COO]- 390.25695 211.0
[M+Na-2H]- 352.21777 178.7
[M]+ 331.24255 178.2
[M]- 331.24365 178.2
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

No patent data available for this compound.