CID 3045766

61098-73-5

Structural Information

Molecular Formula
C24H28FNO2
SMILES
COC1=CC=CC(=C1)C23CCCC(C2)N(C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H28FNO2/c1-28-22-7-2-5-19(15-22)24-13-3-6-21(16-24)26(17-24)14-4-8-23(27)18-9-11-20(25)12-10-18/h2,5,7,9-12,15,21H,3-4,6,8,13-14,16-17H2,1H3
InChIKey
JDTJBXVPVMHEKX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[1-(3-methoxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

381.21042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21770 195.4
[M+Na]+ 404.19964 199.9
[M-H]- 380.20314 200.5
[M+NH4]+ 399.24424 210.3
[M+K]+ 420.17358 193.8
[M+H-H2O]+ 364.20768 184.6
[M+HCOO]- 426.20862 209.3
[M+CH3COO]- 440.22427 203.4
[M+Na-2H]- 402.18509 194.3
[M]+ 381.20987 193.1
[M]- 381.21097 193.1
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

patents stripe