CID 51441

71922-95-7

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H21FN2O3/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKey
NFYAWNPZCNDDOG-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

368.15363 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16091 187.6
[M+Na]+ 391.14285 194.6
[M-H]- 367.14635 197.3
[M+NH4]+ 386.18745 195.4
[M+K]+ 407.11679 190.8
[M+H-H2O]+ 351.15089 175.7
[M+HCOO]- 413.15183 203.6
[M+CH3COO]- 427.16748 197.1
[M+Na-2H]- 389.12830 187.7
[M]+ 368.15308 186.4
[M]- 368.15418 186.4
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