CID 3049763

Brn 0836823

Structural Information

Molecular Formula
C22H24FN3O
SMILES
C1CN(CCN1CCN/C=C/2\CC3=C(C2=O)C=CC(=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C22H24FN3O/c23-19-6-7-21-17(15-19)14-18(22(21)27)16-24-8-9-25-10-12-26(13-11-25)20-4-2-1-3-5-20/h1-7,15-16,24H,8-14H2/b18-16+
InChIKey
DURJCAOOEOLSAZ-FBMGVBCBSA-N
Compound name
(2E)-5-fluoro-2-[[2-(4-phenylpiperazin-1-yl)ethylamino]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.19034 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19762 188.8
[M+Na]+ 388.17956 193.7
[M-H]- 364.18306 194.2
[M+NH4]+ 383.22416 200.4
[M+K]+ 404.15350 185.9
[M+H-H2O]+ 348.18760 176.9
[M+HCOO]- 410.18854 204.3
[M+CH3COO]- 424.20419 196.7
[M+Na-2H]- 386.16501 188.0
[M]+ 365.18979 182.5
[M]- 365.19089 182.5
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.