CID 215514

35806-09-8

Structural Information

Molecular Formula
C20H20FNO
SMILES
C1CC2C3=CC=CC=C3C1N2CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H20FNO/c21-15-9-7-14(8-10-15)20(23)6-3-13-22-18-11-12-19(22)17-5-2-1-4-16(17)18/h1-2,4-5,7-10,18-19H,3,6,11-13H2
InChIKey
UHRHCWVLKKHFAI-UHFFFAOYSA-N
Compound name
4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1529 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16018 174.8
[M+Na]+ 332.14212 182.2
[M-H]- 308.14562 179.1
[M+NH4]+ 327.18672 194.3
[M+K]+ 348.11606 176.0
[M+H-H2O]+ 292.15016 166.6
[M+HCOO]- 354.15110 192.2
[M+CH3COO]- 368.16675 185.4
[M+Na-2H]- 330.12757 174.6
[M]+ 309.15235 174.8
[M]- 309.15345 174.8
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.