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 204.0
[M+Na]+ 439.21676 206.7
[M-H]- 415.22026 206.2
[M+NH4]+ 434.26136 210.5
[M+K]+ 455.19070 200.5
[M+H-H2O]+ 399.22480 190.1
[M+HCOO]- 461.22574 215.4
[M+CH3COO]- 475.24139 226.9
[M+Na-2H]- 437.20221 200.3
[M]+ 416.22699 200.2
[M]- 416.22809 200.2
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.