CID 182604

55199-71-8

Structural Information

Molecular Formula
C23H27F2NO2
SMILES
COC1(CCC(CC1)NCCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H27F2NO2/c1-28-23(18-6-10-20(25)11-7-18)14-12-21(13-15-23)26-16-2-3-22(27)17-4-8-19(24)9-5-17/h4-11,21,26H,2-3,12-16H2,1H3
InChIKey
RTFYNVVYSVBYBI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-4-methoxycyclohexyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

387.201 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20828 194.5
[M+Na]+ 410.19022 198.2
[M-H]- 386.19372 200.0
[M+NH4]+ 405.23482 206.8
[M+K]+ 426.16416 192.7
[M+H-H2O]+ 370.19826 182.8
[M+HCOO]- 432.19920 211.1
[M+CH3COO]- 446.21485 223.1
[M+Na-2H]- 408.17567 193.9
[M]+ 387.20045 189.7
[M]- 387.20155 189.7
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.