CID 3079040

2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-ol

Structural Information

Molecular Formula
C23H21Br2NO
SMILES
C1C(C(C(NC1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=CC=C4)O
InChI
InChI=1S/C23H21Br2NO/c24-18-10-6-15(7-11-18)20-14-21(27)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20-23,26-27H,14H2
InChIKey
FXLMKLWTDDMCBW-UHFFFAOYSA-N
Compound name
2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.999 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.00628 192.6
[M+Na]+ 507.98822 198.7
[M-H]- 483.99172 201.9
[M+NH4]+ 503.03282 202.7
[M+K]+ 523.96216 182.5
[M+H-H2O]+ 467.99626 198.8
[M+HCOO]- 529.99720 201.6
[M+CH3COO]- 544.01285 201.4
[M+Na-2H]- 505.97367 193.6
[M]+ 484.99845 220.7
[M]- 484.99955 220.7
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.