CID 51451

71923-23-4

Structural Information

Molecular Formula
C22H20F4N2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H20F4N2O3/c23-17-6-4-15(5-7-17)20-19(30-21(29)31-20)8-9-27-10-12-28(13-11-27)18-3-1-2-16(14-18)22(24,25)26/h1-7,14H,8-13H2
InChIKey
KXIFOSCAUNZMPP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

436.141 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14828 203.0
[M+Na]+ 459.13022 211.1
[M-H]- 435.13372 209.2
[M+NH4]+ 454.17482 208.3
[M+K]+ 475.10416 206.3
[M+H-H2O]+ 419.13826 188.9
[M+HCOO]- 481.13920 213.8
[M+CH3COO]- 495.15485 210.7
[M+Na-2H]- 457.11567 201.1
[M]+ 436.14045 198.9
[M]- 436.14155 198.9
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