CID 473323

[2-(4-phenylphenyl)-4-quinolyl]-(2-piperidyl)methanol

Structural Information

Molecular Formula
C27H26N2O
SMILES
C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C27H26N2O/c30-27(25-12-6-7-17-28-25)23-18-26(29-24-11-5-4-10-22(23)24)21-15-13-20(14-16-21)19-8-2-1-3-9-19/h1-5,8-11,13-16,18,25,27-28,30H,6-7,12,17H2
InChIKey
LHTSLOAAACLXCZ-UHFFFAOYSA-N
Compound name
[2-(4-phenylphenyl)quinolin-4-yl]-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2045 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21178 197.1
[M+Na]+ 417.19372 200.0
[M-H]- 393.19722 203.3
[M+NH4]+ 412.23832 203.3
[M+K]+ 433.16766 190.8
[M+H-H2O]+ 377.20176 184.2
[M+HCOO]- 439.20270 208.0
[M+CH3COO]- 453.21835 202.9
[M+Na-2H]- 415.17917 198.9
[M]+ 394.20395 188.5
[M]- 394.20505 188.5
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

No patent data available for this compound.