CID 37531

36771-99-0

Structural Information

Molecular Formula
C23H27F2NO
SMILES
CN(CCCC(=O)C1=CC=C(C=C1)F)C2CCC(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H27F2NO/c1-26(16-2-3-23(27)19-6-12-21(25)13-7-19)22-14-8-18(9-15-22)17-4-10-20(24)11-5-17/h4-7,10-13,18,22H,2-3,8-9,14-16H2,1H3
InChIKey
TZUSDNIPUFSFLJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]-methylamino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2061 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21338 191.3
[M+Na]+ 394.19532 194.2
[M-H]- 370.19882 198.0
[M+NH4]+ 389.23992 202.9
[M+K]+ 410.16926 189.0
[M+H-H2O]+ 354.20336 179.3
[M+HCOO]- 416.20430 208.2
[M+CH3COO]- 430.21995 224.9
[M+Na-2H]- 392.18077 188.8
[M]+ 371.20555 186.1
[M]- 371.20665 186.1
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

No patent data available for this compound.