CID 46739796

1218789-87-7

Structural Information

Molecular Formula
C17H23BF3N3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C(F)(F)F
InChI
InChI=1S/C17H23BF3N3O3/c1-15(2)16(3,4)27-18(26-15)12-5-6-13(22-11-12)23-7-9-24(10-8-23)14(25)17(19,20)21/h5-6,11H,7-10H2,1-4H3
InChIKey
VWUMYQIQIXOMIA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17847 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18575 191.7
[M+Na]+ 408.16769 199.0
[M+NH4]+ 403.21229 196.8
[M+K]+ 424.14163 194.1
[M-H]- 384.17119 191.0
[M+Na-2H]- 406.15314 194.9
[M]+ 385.17792 192.4
[M]- 385.17902 192.4
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.