CID 3637792

89011-90-5

Structural Information

Molecular Formula
C26H36FN3O2
SMILES
CCN(CC)C(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C26H36FN3O2/c1-4-30(5-2)25(21-6-10-23(27)11-7-21)19-29-16-14-28(15-17-29)18-20(3)26(32)22-8-12-24(31)13-9-22/h6-13,20,25,31H,4-5,14-19H2,1-3H3
InChIKey
OLQANDAZOREQMH-UHFFFAOYSA-N
Compound name
3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-(4-hydroxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

441.27914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.28642 211.2
[M+Na]+ 464.26836 211.4
[M-H]- 440.27186 214.6
[M+NH4]+ 459.31296 216.2
[M+K]+ 480.24230 206.7
[M+H-H2O]+ 424.27640 198.3
[M+HCOO]- 486.27734 222.2
[M+CH3COO]- 500.29299 237.6
[M+Na-2H]- 462.25381 205.8
[M]+ 441.27859 207.5
[M]- 441.27969 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe