CID 198237

Id 4708

Structural Information

Molecular Formula
C22H24F4N2O2
SMILES
C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=C(C=C(C=C3)F)N
InChI
InChI=1S/C22H24F4N2O2/c23-17-6-7-18(19(27)14-17)20(29)5-2-10-28-11-8-21(30,9-12-28)15-3-1-4-16(13-15)22(24,25)26/h1,3-4,6-7,13-14,30H,2,5,8-12,27H2
InChIKey
SBAFWLYMAPHVMW-UHFFFAOYSA-N
Compound name
1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

424.1774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18468 201.3
[M+Na]+ 447.16662 206.7
[M-H]- 423.17012 201.8
[M+NH4]+ 442.21122 210.2
[M+K]+ 463.14056 199.8
[M+H-H2O]+ 407.17466 188.4
[M+HCOO]- 469.17560 211.1
[M+CH3COO]- 483.19125 226.4
[M+Na-2H]- 445.15207 199.2
[M]+ 424.17685 191.7
[M]- 424.17795 191.7
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

patents stripe