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 188.5
[M+Na]+ 408.05697 199.0
[M-H]- 384.06047 197.6
[M+NH4]+ 403.10157 206.5
[M+K]+ 424.03091 186.5
[M+H-H2O]+ 368.06501 186.9
[M+HCOO]- 430.06595 203.6
[M+CH3COO]- 444.08160 200.3
[M+Na-2H]- 406.04242 190.2
[M]+ 385.06720 206.4
[M]- 385.06830 206.4
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.