CID 206089

Brn 1262067

Structural Information

Molecular Formula
C20H20BrNO2
SMILES
COC1=CC(=C2C(=C1CN3CCCCC3)C4=CC=CC=C4C2=O)Br
InChI
InChI=1S/C20H20BrNO2/c1-24-17-11-16(21)19-18(13-7-3-4-8-14(13)20(19)23)15(17)12-22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKey
BHQBKQHTGJEDEM-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-4-(piperidin-1-ylmethyl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06775 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07503 185.9
[M+Na]+ 408.05697 190.3
[M+NH4]+ 403.10157 191.3
[M+K]+ 424.03091 189.1
[M-H]- 384.06047 188.7
[M+Na-2H]- 406.04242 187.6
[M]+ 385.06720 186.2
[M]- 385.06830 186.2
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.