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]+ 308.16451 173.3
[M+Na]+ 330.14645 180.6
[M-H]- 306.14995 179.9
[M+NH4]+ 325.19105 190.5
[M+K]+ 346.12039 174.9
[M+H-H2O]+ 290.15449 164.6
[M+HCOO]- 352.15543 190.8
[M+CH3COO]- 366.17108 184.1
[M+Na-2H]- 328.13190 175.2
[M]+ 307.15668 172.4
[M]- 307.15778 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.