CID 56881

95217-29-1

Structural Information

Molecular Formula
C22H23FN2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=C(OC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H23FN2O4/c1-27-19-5-3-2-4-18(19)25-14-12-24(13-15-25)11-10-20-21(29-22(26)28-20)16-6-8-17(23)9-7-16/h2-9H,10-15H2,1H3
InChIKey
DFFALYOWHKEKBI-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.16418 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17146 198.3
[M+Na]+ 421.15340 212.8
[M+NH4]+ 416.19800 204.0
[M+K]+ 437.12734 207.3
[M-H]- 397.15690 205.6
[M+Na-2H]- 419.13885 205.1
[M]+ 398.16363 202.4
[M]- 398.16473 202.4
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