CID 71590830

[[2,8-bis(trifluoromethyl)-4-quinolyl]-(2-piperidyl)methoxy]-diphenyl-borane

Structural Information

Molecular Formula
C29H25BF6N2O
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(C3CCCCN3)C4=CC(=NC5=C4C=CC=C5C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C29H25BF6N2O/c31-28(32,33)23-15-9-14-21-22(18-25(29(34,35)36)38-26(21)23)27(24-16-7-8-17-37-24)39-30(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,24,27,37H,7-8,16-17H2
InChIKey
WYBLJGLGRJPYPW-UHFFFAOYSA-N
Compound name
[[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethoxy]-diphenylborane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.20368 228.7
[M+Na]+ 565.18562 231.7
[M-H]- 541.18912 228.2
[M+NH4]+ 560.23022 229.3
[M+K]+ 581.15956 221.8
[M+H-H2O]+ 525.19366 210.3
[M+HCOO]- 587.19460 229.3
[M+CH3COO]- 601.21025 230.4
[M+Na-2H]- 563.17107 226.4
[M]+ 542.19585 215.1
[M]- 542.19695 215.1
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.