CID 3052051

Vufb-10673

Structural Information

Molecular Formula
C24H30F2N2O2
SMILES
CC(=O)OCCN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H30F2N2O2/c1-19(29)30-18-17-28-15-13-27(14-16-28)12-2-3-24(20-4-8-22(25)9-5-20)21-6-10-23(26)11-7-21/h4-11,24H,2-3,12-18H2,1H3
InChIKey
XVHJZYYCEPLMQW-UHFFFAOYSA-N
Compound name
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.22754 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23482 205.6
[M+Na]+ 439.21676 216.1
[M+NH4]+ 434.26136 210.3
[M+K]+ 455.19070 208.1
[M-H]- 415.22026 207.0
[M+Na-2H]- 437.20221 210.7
[M]+ 416.22699 207.2
[M]- 416.22809 207.2
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.