CID 1032684

Vufb-10672

Structural Information

Molecular Formula
C26H36F2N2O2
SMILES
CC(=O)OCC[N+]1(CC[N+](CC1)(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C26H36F2N2O2/c1-21(31)32-20-19-30(3)17-15-29(2,16-18-30)14-4-5-26(22-6-10-24(27)11-7-22)23-8-12-25(28)13-9-23/h6-13,26H,4-5,14-20H2,1-3H3/q+2
InChIKey
BWXNPJQLMDRDSD-UHFFFAOYSA-N
Compound name
2-[4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.27448 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28176 205.3
[M+Na]+ 469.26370 219.7
[M+NH4]+ 464.30830 215.0
[M+K]+ 485.23764 209.1
[M-H]- 445.26720 210.2
[M+Na-2H]- 467.24915 215.1
[M]+ 446.27393 209.6
[M]- 446.27503 209.6
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.