CID 39310

42839-78-1

Structural Information

Molecular Formula
C20H21NO2
SMILES
COC1=CC2=C(C=C1CN3CCCCC3)C(=O)C4=CC=CC=C42
InChI
InChI=1S/C20H21NO2/c1-23-19-12-17-15-7-3-4-8-16(15)20(22)18(17)11-14(19)13-21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3
InChIKey
TWSLUBQPPOBUEQ-UHFFFAOYSA-N
Compound name
3-methoxy-2-(piperidin-1-ylmethyl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 173.3
[M+Na]+ 330.146448 180.6
[M-H]- 306.149954 179.9
[M+NH4]+ 325.191053 190.5
[M+K]+ 346.120388 174.9
[M+H-H2O]+ 290.154490 164.6
[M+HCOO]- 352.155431 190.8
[M+CH3COO]- 366.171081 184.1
[M+Na-2H]- 328.131896 175.2
[M]+ 307.15668142 172.4
[M]- 307.15777858 172.4
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.