CID 3079036

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

Structural Information

Molecular Formula
C23H19Br2NO
SMILES
C1C(NC(C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H19Br2NO/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/h1-13,20,22-23,26H,14H2
InChIKey
GWXVHIWWZSJFAP-UHFFFAOYSA-N
Compound name
2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.98334 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.99062 190.7
[M+Na]+ 505.97256 197.6
[M-H]- 481.97606 201.2
[M+NH4]+ 501.01716 201.4
[M+K]+ 521.94650 181.6
[M+H-H2O]+ 465.98060 196.8
[M+HCOO]- 527.98154 201.0
[M+CH3COO]- 541.99719 200.2
[M+Na-2H]- 503.95801 192.2
[M]+ 482.98279 219.7
[M]- 482.98389 219.7
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.