CID 1848993

Tachyplegina

Structural Information

Molecular Formula
C22H21F2NO
SMILES
CCCN1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C/C3=CC=C(C=C3)F)/C1
InChI
InChI=1S/C22H21F2NO/c1-2-11-25-14-18(12-16-3-7-20(23)8-4-16)22(26)19(15-25)13-17-5-9-21(24)10-6-17/h3-10,12-13H,2,11,14-15H2,1H3/b18-12+,19-13+
InChIKey
VIFODPVYCOAIJX-KLCVKJMQSA-N
Compound name
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-propylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.15912 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16640 185.8
[M+Na]+ 376.14834 192.9
[M-H]- 352.15184 190.8
[M+NH4]+ 371.19294 197.3
[M+K]+ 392.12228 184.7
[M+H-H2O]+ 336.15638 173.9
[M+HCOO]- 398.15732 201.7
[M+CH3COO]- 412.17297 215.1
[M+Na-2H]- 374.13379 183.9
[M]+ 353.15857 180.0
[M]- 353.15967 180.0
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