CID 9804326

Org-23366

Structural Information

Molecular Formula
C26H30F2N2O
SMILES
C1CCN(C1)C(=O)CCCN2CCC(=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC2
InChI
InChI=1S/C26H30F2N2O/c27-23-9-5-20(6-10-23)26(21-7-11-24(28)12-8-21)22-13-18-29(19-14-22)15-3-4-25(31)30-16-1-2-17-30/h5-12H,1-4,13-19H2
InChIKey
FZWURHPZIJCZOY-UHFFFAOYSA-N
Compound name
4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.2326 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23988 206.4
[M+Na]+ 447.22182 207.8
[M-H]- 423.22532 211.4
[M+NH4]+ 442.26642 213.8
[M+K]+ 463.19576 200.0
[M+H-H2O]+ 407.22986 192.4
[M+HCOO]- 469.23080 216.4
[M+CH3COO]- 483.24645 211.6
[M+Na-2H]- 445.20727 198.9
[M]+ 424.23205 196.5
[M]- 424.23315 196.5
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

patents stripe