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 195.5
[M+Na]+ 421.15340 202.7
[M-H]- 397.15690 205.5
[M+NH4]+ 416.19800 202.2
[M+K]+ 437.12734 199.5
[M+H-H2O]+ 381.16144 183.4
[M+HCOO]- 443.16238 211.3
[M+CH3COO]- 457.17803 204.7
[M+Na-2H]- 419.13885 194.5
[M]+ 398.16363 196.5
[M]- 398.16473 196.5
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